600234
  -OEChem-05302104242D

 22 23  0     0  0  0  0  0  0999 V2000
    6.2619   -0.3978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.2025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.3575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    1.5637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -2.1530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2222    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3996   -2.3456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1815   -2.7424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783   -1.9604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5719   -0.9347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1600    2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 21  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 22  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
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
600234

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
209

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAYCAAADAiBngQyxPMOEgCiAyRiRACCgCAhMiAI2CA9fJwKZuLS0dOUdAhkwBHI2AewwKAOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-diazenyl-1-methyl-indol-2-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-diazenyl-1-methyl-2-indolol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-diazenyl-1-methylindol-2-ol

> <PUBCHEM_IUPAC_NAME>
3-diazenyl-1-methylindol-2-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-diazenyl-1-methyl-indol-2-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-diazenyl-1-methyl-indol-2-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-10)9(12)13/h2-5,10,13H,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
KPBNRDGQYYGJIS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
175.074561919

> <PUBCHEM_MOLECULAR_FORMULA>
C9H9N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
175.19

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=CC=CC=C2C(=C1O)N=N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=CC=CC=C2C(=C1O)N=N

> <PUBCHEM_CACTVS_TPSA>
61.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
175.074561919

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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  13  8
12  13  8
2  5  8
2  8  8
5  6  8
5  9  8
6  10  8
6  7  8
7  8  8
9  12  8

$$$$
