1923
  -OEChem-05062413252D

 18 19  0     0  0  0  0  0  0999 V2000
    2.8660   -1.3623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260   -0.3970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6260    1.6723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    2.2923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678    1.4706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0678   -0.1952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 18  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1923

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
138

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYByIAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgAACAAADAzBngQ8xvIIEgCgAzRnRASCgCAxYiAI2CA/bJgKJuLSkZOEcAhkwBHY2AeQwLAOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
quinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
quinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
quinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
quinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
oxine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H

> <PUBCHEM_IUPAC_INCHIKEY>
MCJGNVYPOGVAJF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2

> <PUBCHEM_EXACT_MASS>
145.052763847

> <PUBCHEM_MOLECULAR_FORMULA>
C9H7NO

> <PUBCHEM_MOLECULAR_WEIGHT>
145.16

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C(=C1)O)N=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C(=C1)O)N=CC=C2

> <PUBCHEM_CACTVS_TPSA>
33.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
145.052763847

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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  11  8
2  4  8
3  4  8
3  6  8
3  7  8
4  5  8
5  8  8
6  9  8
7  10  8
8  9  8

$$$$