54680155
  -OEChem-04252411512D

 36 38  0     0  0  0  0  0  0999 V2000
    2.0000    1.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301   -3.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8917   -3.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3552   -4.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3051   -4.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9127   -3.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4378   -2.7064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -2.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -3.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.2907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3 10  2  0  0  0  0
  4 15  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 33  1  0  0  0  0
 19 21  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54680155

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
485

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB6MAAGAAAAAAAAAAAAGAAAAAAAAAAwQAAAAAAAAAABAAAAHgIACAAADQbBmCQwAIMAAgCIAiFWUACCAAAgJwAIiAEIAsgIJDKBkxCEIAAghgCImQcYiICOBAAAAACBAAAIAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxy-2-pyridinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one

> <PUBCHEM_IUPAC_NAME>
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-hydroxypyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-4-oxidanyl-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(cyclopropylmethyl)-3-(2,4-dichlorobenzyl)-4-hydroxy-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H15Cl2NO2/c17-12-4-3-11(14(18)8-12)7-13-15(20)5-6-19(16(13)21)9-10-1-2-10/h3-6,8,10,20H,1-2,7,9H2

> <PUBCHEM_IUPAC_INCHIKEY>
MKEZVSQDJGTWMP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
323.0479841

> <PUBCHEM_MOLECULAR_FORMULA>
C16H15Cl2NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
324.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC1CN2C=CC(=C(C2=O)CC3=C(C=C(C=C3)Cl)Cl)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC1CN2C=CC(=C(C2=O)CC3=C(C=C(C=C3)Cl)Cl)O

> <PUBCHEM_CACTVS_TPSA>
40.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.0479841

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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  13  8
12  15  8
13  15  8
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
20  21  8
5  10  8
5  11  8

$$$$