53338819
  -OEChem-04192403562D

 38 39  0     0  0  0  0  0  0999 V2000
    3.1350   10.6914    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6009    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9669    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.6914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1990    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.6914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    5.6568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    7.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    7.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690   10.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010    6.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   10.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369   10.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4669    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720    9.0014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    7.5014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8878    8.3461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.8814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    7.5243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    5.8586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   11.3114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.3814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 25  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 14  1  0  0  0  0
  5 37  1  0  0  0  0
  6 26  1  0  0  0  0
  6 38  1  0  0  0  0
  7 26  2  0  0  0  0
  8 11  1  0  0  0  0
  8 16  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 21  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 17  2  0  0  0  0
 13 28  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 21  1  0  0  0  0
 18 31  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 24  1  0  0  0  0
 22 34  1  0  0  0  0
 23 24  2  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53338819

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
385

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7McAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHwAQCAAADAzBnhw8zvLIEgCoAzT3TASCgCAxYiAI2CA/bJgKJuLS0dOEdAhk0BHY2AewwLAOAEABAAQCEAAAgAIACAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-(2-fluoroanilino)quinolin-8-ol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
5-(2-fluoroanilino)-8-quinolinol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-(2-fluoroanilino)quinolin-8-ol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
5-(2-fluoroanilino)quinolin-8-ol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[(2-fluorophenyl)amino]quinolin-8-ol;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(2-fluoroanilino)quinolin-8-ol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H11FN2O.C2HF3O2/c16-11-5-1-2-6-13(11)18-12-7-8-14(19)15-10(12)4-3-9-17-15;3-2(4,5)1(6)7/h1-9,18-19H;(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
BCNQJNIETJJPOK-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
368.07840490

> <PUBCHEM_MOLECULAR_FORMULA>
C17H12F4N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
368.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C(=C1)NC2=C3C=CC=NC3=C(C=C2)O)F.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C(=C1)NC2=C3C=CC=NC3=C(C=C2)O)F.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
82.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
368.07840490

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  11  8
10  12  8
10  15  8
11  13  8
12  14  8
13  17  8
14  17  8
15  18  8
16  19  8
16  20  8
18  21  8
19  22  8
20  23  8
22  24  8
23  24  8
9  12  8
9  21  8

$$$$