56643206
  -OEChem-05191323042D

 38 39  0     0  0  0  0  0  0999 V2000
    2.4669    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8329    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8329    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6155    4.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0650    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1990    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.7328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.7328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    7.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270    7.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6270    5.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5331    7.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5331    6.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3329    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1990    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    8.3528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.3528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6199    8.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    7.5657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0688    5.8999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    5.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.3528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.1128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5428    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1488    4.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6019    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 24  1  0  0  0  0
  3 24  1  0  0  0  0
  4 14  1  0  0  0  0
  4 37  1  0  0  0  0
  5 25  1  0  0  0  0
  5 38  1  0  0  0  0
  6 25  2  0  0  0  0
  7 11  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  2  0  0  0  0
 13 28  1  0  0  0  0
 14 18  2  0  0  0  0
 15 29  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 20 33  1  0  0  0  0
 21 23  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56643206

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
349

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MYAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx9AAAHwAQCAAADAzBnhQ8zvLIEgCoAzT3TASCgCAxciAI2CAvfJgKZuLSkZOUcAhk0BHY2AeQ0LMOAAABAAACEAAAAAIAAAQgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-anilinoquinolin-8-ol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
3-anilino-8-quinolinol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
3-anilinoquinolin-8-ol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-phenylazanylquinolin-8-ol;2,2,2-tris(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-anilinoquinolin-8-ol;2,2,2-trifluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H12N2O.C2HF3O2/c18-14-8-4-5-11-9-13(10-16-15(11)14)17-12-6-2-1-3-7-12;3-2(4,5)1(6)7/h1-10,17-18H;(H,6,7)

> <PUBCHEM_IUPAC_INCHIKEY>
GJCZEKIWPPBDBV-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
350.087827

> <PUBCHEM_MOLECULAR_FORMULA>
C17H13F3N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
350.29193

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)NC2=CN=C3C(=C2)C=CC=C3O.C(=O)(C(F)(F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)NC2=CN=C3C(=C2)C=CC=C3O.C(=O)(C(F)(F)F)O

> <PUBCHEM_CACTVS_TPSA>
82.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.087827

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
19

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

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

$$$$