54676757
  -OEChem-04232410422D

 33 35  0     0  0  0  0  0  0999 V2000
    2.8660    3.9330    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1970   -2.9065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5155   -3.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904   -4.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2057   -4.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6807   -3.7210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.0407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.6496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.1230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.7430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  8  2  0  0  0  0
  3 13  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54676757

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
431

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMQAAAAAAAAAAAAAAGAAAAAAAAAAwQAAAAAAAAAABAAAAHwAACAAADCzBmAwwAIMAAgCIAiFWUACCAAAgIgAIiAEIAMgIJDKAkRCEIAAghgCImQcYiICOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-hydroxy-pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-hydroxy-2-pyridinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

> <PUBCHEM_IUPAC_NAME>
1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-hydroxypyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-cyclopropyl-3-[(4-fluorophenyl)methyl]-4-oxidanyl-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-cyclopropyl-3-(4-fluorobenzyl)-4-hydroxy-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H14FNO2/c16-11-3-1-10(2-4-11)9-13-14(18)7-8-17(15(13)19)12-5-6-12/h1-4,7-8,12,18H,5-6,9H2

> <PUBCHEM_IUPAC_INCHIKEY>
YOARALDHKFYYHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
259.10085685

> <PUBCHEM_MOLECULAR_FORMULA>
C15H14FNO2

> <PUBCHEM_MOLECULAR_WEIGHT>
259.27

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1N2C=CC(=C(C2=O)CC3=CC=C(C=C3)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1N2C=CC(=C(C2=O)CC3=CC=C(C=C3)F)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
259.10085685

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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  13  8
11  13  8
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8
4  8  8
4  9  8
8  10  8
9  11  8

$$$$