71360804
  -OEChem-04242418422D

 43 44  0     0  0  0  0  0  0999 V2000
    2.5369   -0.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811    1.3056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0132    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9702    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3274    0.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3239    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347    1.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4670    0.9225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6199    2.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3910   -0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9842    0.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    0.2362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5596    2.2697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1628    3.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3809    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8659    0.3535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7415    0.3061    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7889    1.1816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9132    2.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5165    3.5898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7346    3.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9069    2.4504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4280    1.7158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1626    1.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.6064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -3.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 43  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 39  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 20  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  2  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 38  1  0  0  0  0
 16 18  2  0  0  0  0
 16 40  1  0  0  0  0
 17 19  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 19 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71360804

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
272

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADCzBngQ+xvPJkgCgAzRnRACCgCAxIiAI2aA+bJgIJuLCkZOEcAhk0BHI2Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[2-(diisopropylamino)ethyl]-1H-indol-5-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-5-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[2-[di(propan-2-yl)amino]ethyl]-1<I>H</I>-indol-5-ol

> <PUBCHEM_IUPAC_NAME>
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-5-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-5-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[2-(diisopropylamino)ethyl]-1H-indol-5-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H24N2O/c1-11(2)18(12(3)4)8-7-13-10-17-16-6-5-14(19)9-15(13)16/h5-6,9-12,17,19H,7-8H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
HWOLNTJLIUHEOG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.8

> <PUBCHEM_EXACT_MASS>
260.188863393

> <PUBCHEM_MOLECULAR_FORMULA>
C16H24N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
260.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N(CCC1=CNC2=C1C=C(C=C2)O)C(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N(CCC1=CNC2=C1C=C(C=C2)O)C(C)C

> <PUBCHEM_CACTVS_TPSA>
39.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
260.188863393

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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  14  8
13  16  8
14  17  8
16  18  8
17  19  8
18  19  8
3  14  8
3  15  8
8  13  8
8  15  8

$$$$