69491223
  -OEChem-05082413332D

 29 29  0     0  0  0  0  0  0999 V2000
    6.2089    0.1550    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    4.1550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    3.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    1.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    1.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    2.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    1.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 29  1  0  0  0  0
  3  5  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  1  0  0  0  0
  8 11  2  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 16  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69491223

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
134

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIQAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHwAQCAAACAyBkAgwxoBAAgCAACRCQACCAAAgIgAIiAAGbIgIJiKCkZOAcABk0BEI2AewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-aminophenol;4-fluoroaniline

> <PUBCHEM_IUPAC_CAS_NAME>
4-aminophenol;4-fluoroaniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-aminophenol;4-fluoroaniline

> <PUBCHEM_IUPAC_NAME>
4-aminophenol;4-fluoroaniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanylphenol;4-fluoranylaniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-aminophenol;(4-fluorophenyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H6FN.C6H7NO/c2*7-5-1-3-6(8)4-2-5/h1-4H,8H2;1-4,8H,7H2

> <PUBCHEM_IUPAC_INCHIKEY>
VJRSTKFMJJIGJX-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
220.10119120

> <PUBCHEM_MOLECULAR_FORMULA>
C12H13FN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
220.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1N)O.C1=CC(=CC=C1N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1N)O.C1=CC(=CC=C1N)F

> <PUBCHEM_CACTVS_TPSA>
72.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
220.10119120

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
12  14  8
13  15  8
14  16  8
15  16  8
5  7  8
5  8  8
6  12  8
6  13  8
7  10  8
8  11  8
9  10  8
9  11  8

$$$$