68751998
  -OEChem-04262405142D

 20 21  0     0  0  0  0  0  0999 V2000
    2.9176   -1.6692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.6693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.1346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.0200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.1983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -0.4446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    1.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843   -1.9854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 20  1  0  0  0  0
  2  5  2  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68751998

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
163

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAQCAAADAzBngQ8xvJIEgCgAzRnRASCgCAxciAI2CAvfJgKZuLSkZOUcAhk0BHY2AeQ0LEOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-aminoquinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
3-amino-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-aminoquinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
3-aminoquinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-azanylquinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-aminoquinolin-8-ol

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

> <PUBCHEM_IUPAC_INCHIKEY>
CHYHTAKZXPWRHO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
1.3

> <PUBCHEM_EXACT_MASS>
160.063662883

> <PUBCHEM_MOLECULAR_FORMULA>
C9H8N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
160.17

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=CC(=CN=C2C(=C1)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=CC(=CN=C2C(=C1)O)N

> <PUBCHEM_CACTVS_TPSA>
59.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
160.063662883

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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  11  8
2  12  8
2  5  8
4  5  8
4  6  8
4  8  8
5  7  8
6  9  8
7  10  8
8  11  8
9  12  8

$$$$