6603866
  -OEChem-04252401332D

 43 44  0     1  0  0  0  0  0999 V2000
    8.0785   -0.8019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0901    2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    2.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.6250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    2.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    2.7076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.2076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.3499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.6597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.2423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.6847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829    2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    2.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.2696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -2.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -2.2673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6118   -1.1181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 43  1  0  0  0  0
  3  2  1  6  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 19  1  0  0  0  0
  4  6  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 12  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 18  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6603866

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
237

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6IAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAHgAACAAADCzBmAQyBoMAAgCAAiBCAAACAAAgIAAIiAAOCIgIJiKCkROEcAAkwBGImAewwLAOgAABAAAYAAAQAAKAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3R)-3-(dipropylamino)tetralin-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
(7<I>R</I>)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_NAME>
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(7R)-7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3R)-3-(dipropylamino)tetralin-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3/t14-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
ASXGJMSKWNBENU-CQSZACIVSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
247.193614421

> <PUBCHEM_MOLECULAR_FORMULA>
C16H25NO

> <PUBCHEM_MOLECULAR_WEIGHT>
247.38

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN(CCC)C1CCC2=C(C1)C(=CC=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN(CCC)[C@@H]1CCC2=C(C1)C(=CC=C2)O

> <PUBCHEM_CACTVS_TPSA>
23.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.193614421

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
14  16  8
15  16  8
3  2  6
7  13  8
7  8  8
8  14  8

$$$$