260645
  -OEChem-05102420132D

 20 21  0     0  0  0  0  0  0999 V2000
    4.5981    2.1550    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3450    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580   -0.8797    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8450    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3580    1.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    1.8096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998   -0.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3  6  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  5 15  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  CHG  2   3  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
260645

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
258

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzMAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHgIECAAADA7BniQ8xvIYUgChAzRnRwSCgCAxZyAo2CA9bpoKJuLT09OEdAhkwFHY2AeQwLAOCCABAAYDEAAQQAIADAYgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-7-nitro-quinolin-8-ol

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-7-nitro-8-quinolinol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-7-nitroquinolin-8-ol

> <PUBCHEM_IUPAC_NAME>
5-chloro-7-nitroquinolin-8-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-7-nitro-quinolin-8-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-7-nitro-quinolin-8-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H

> <PUBCHEM_IUPAC_INCHIKEY>
YMZCBKSIFLQQEM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
223.9988697

> <PUBCHEM_MOLECULAR_FORMULA>
C9H5ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
224.60

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])Cl

> <PUBCHEM_CACTVS_TPSA>
78.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
223.9988697

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
13  14  8
14  15  8
5  15  8
5  8  8
7  11  8
7  13  8
7  8  8
8  9  8
9  10  8

$$$$