60574
  -OEChem-05052422362D

 46 48  0     1  0  0  0  0  0999 V2000
    2.0122   -2.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268    1.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268    0.5446    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7608    0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4929    0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7608   -0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4929   -0.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6268   -1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4929    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7608    2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6108   -2.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9013   -1.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4029   -1.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4929    3.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7608    3.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336   -2.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5088   -3.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8879   -2.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4109   -2.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3589    3.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8948    3.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8907    0.9696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5488    0.6272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502   -0.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034   -0.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7049    0.6272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7049    1.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1034    2.1522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    2.1522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5488    1.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3667   -1.1362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9362   -1.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2808    3.6272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8823    2.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3714    2.9369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9729    3.6272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7138   -3.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5064   -3.6447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9490   -2.8118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6689    3.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8958    3.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489    4.0815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2048    4.0815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3578    3.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5848    3.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 15  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 31  1  0  0  0  0
 13 19  1  0  0  0  0
 13 32  1  0  0  0  0
 14 20  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 21  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  2  0  0  0  0
 17 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60574

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
326

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBUAAAHgAACAAADCzBmAQyBsMAAgCAAiBCAAACAAAgIAAIiAAOCIgIJiKCkROEcAAkwBGImAeQ0PMOoAADAAAQAABQAAaAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(dipropylamino)-5,6-dihydro-4H-phenalen-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-(dipropylamino)-5,6-dihydro-4H-phenalen-2-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(dipropylamino)-5,6-dihydro-4<I>H</I>-phenalen-2-ol

> <PUBCHEM_IUPAC_NAME>
5-(dipropylamino)-5,6-dihydro-4H-phenalen-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-(dipropylamino)-5,6-dihydro-4H-phenalen-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(dipropylamino)-5,6-dihydro-4H-phenalen-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H25NO/c1-3-8-20(9-4-2)17-10-14-6-5-7-15-12-18(21)13-16(11-17)19(14)15/h5-7,12-13,17,21H,3-4,8-11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
TWUJBHBRYYTEDL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
283.193614421

> <PUBCHEM_MOLECULAR_FORMULA>
C19H25NO

> <PUBCHEM_MOLECULAR_WEIGHT>
283.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CCC)C1CC2=CC=CC3=CC(=CC(=C23)C1)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CCC)C1CC2=CC=CC3=CC(=CC(=C23)C1)O

> <PUBCHEM_CACTVS_TPSA>
23.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.193614421

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  16  8
11  17  8
12  18  8
13  19  8
16  18  8
17  19  8
3  22  3
6  12  8
6  8  8
7  13  8
7  8  8
8  11  8

$$$$