10257
  -OEChem-05102405232D

 31 32  0     0  0  0  0  0  0999 V2000
    2.5369   -0.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811    1.7809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.9358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596    1.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0132    2.5252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    1.2438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    0.7115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3910    0.2107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9842    0.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.1311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -2.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.4889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7874    1.3804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2662    2.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5317    2.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4747    2.9392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5992    2.9866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5518    2.1111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 31  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 11  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 15  2  0  0  0  0
 11 23  1  0  0  0  0
 12 15  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10257

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
208

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAzBngQ+xvPJkgCgAzRnRACCgCAxIiAI2aA+bJgIJuLCkZOEcAhk0BHI2Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[2-(dimethylamino)ethyl]-1<I>H</I>-indol-5-ol

> <PUBCHEM_IUPAC_NAME>
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
VTTONGPRPXSUTJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.2

> <PUBCHEM_EXACT_MASS>
204.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C12H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
204.27

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

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

> <PUBCHEM_CACTVS_TPSA>
39.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
204.126263138

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
19

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  15  8
12  15  8
3  8  8
3  9  8
5  6  8
5  9  8
6  10  8
6  8  8
8  11  8

$$$$