9991554
  -OEChem-04252403372D

 37 38  0     0  0  0  0  0  0999 V2000
    2.8660    0.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    1.3056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.1489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    1.5118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -0.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812    0.2677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751    0.2362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2772    0.8922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    1.4245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    2.3419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    1.5620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -1.6064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709   -3.0004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1566    2.2697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7599    3.0517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9780    2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5102    2.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    3.5898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3316    3.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 37  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 15  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  2  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 17  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9991554

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
230

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAzBngQ+xvPJkgCgAzRnRACCgCAxIiAI2aA+bJgIJuLCkZOEcAhm0BnI2Aew0OMOgAAAAgAKAAAAAAAEABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[2-(diethylamino)ethyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-[2-(diethylamino)ethyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[2-(diethylamino)ethyl]-1<I>H</I>-indol-4-ol

> <PUBCHEM_IUPAC_NAME>
3-[2-(diethylamino)ethyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2-(diethylamino)ethyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[2-(diethylamino)ethyl]-1H-indol-4-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
OHHYMKDBKJPILO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
232.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
232.32

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

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

> <PUBCHEM_CACTVS_TPSA>
39.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
232.157563266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
10  15  8
12  16  8
15  17  8
16  17  8
3  10  8
3  11  8
6  11  8
6  7  8
7  10  8
7  12  8

$$$$