70606468
  -OEChem-05062405002D

 32 32  0     0  0  0  0  0  0999 V2000
    3.3252    2.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    4.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    6.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044    5.2433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152    8.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    7.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    5.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    1.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5932    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4078    8.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4188    7.2048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.5848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.8248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    2.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9032    2.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0563    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2832    1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8392    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4592    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6970    4.6540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9184    5.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 32  1  0  0  0  0
  2 13  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70606468

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
204

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADBzhngY/wPNMEgCoAzRnVACCgCAxAiAI2CA4ZJiIMOLAkZGEIAhghgLIyCcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
indole-1-carboxamide;propan-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
1-indolecarboxamide;2-propanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
indole-1-carboxamide;propan-2-ol

> <PUBCHEM_IUPAC_NAME>
indole-1-carboxamide;propan-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
indole-1-carboxamide;propan-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
indole-1-carboxamide;propan-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H8N2O.C3H8O/c10-9(12)11-6-5-7-3-1-2-4-8(7)11;1-3(2)4/h1-6H,(H2,10,12);3-4H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
FOTXMFDVHSGVMD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
220.121177757

> <PUBCHEM_MOLECULAR_FORMULA>
C12H16N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
220.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)O.C1=CC=C2C(=C1)C=CN2C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)O.C1=CC=C2C(=C1)C=CN2C(=O)N

> <PUBCHEM_CACTVS_TPSA>
68.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.121177757

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
3  5  8
3  8  8
5  6  8
5  9  8
6  10  8
6  7  8
7  8  8
9  11  8

$$$$