49795142
  -OEChem-04262405162D

 36 38  0     1  0  0  0  0  0999 V2000
    7.6698    1.6900    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2215    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    1.2730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116   -0.1283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2215    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981    0.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    2.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    3.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9064    4.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    4.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    1.6878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    0.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    3.1386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1120   -4.2215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -4.2215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    3.4773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    4.6186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1531    4.7879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 15  1  0  0  0  0
  3  6  1  0  0  0  0
  3 30  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 19  1  0  0  0  0
 16 28  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 29  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  2  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795142

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
373

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IQAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwIQCAAADB7hny4/kJbJkgCgAzZnZASCgC2xF6AJ2SA4fpiKfqLBmxGUcAhs0APY2CeQwPAOQAAAAAABAACAAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[5-(2-chlorophenyl)-1H-imidazol-2-yl]-(3-fluoro-4-methyl-phenyl)methanol

> <PUBCHEM_IUPAC_CAS_NAME>
[5-(2-chlorophenyl)-1H-imidazol-2-yl]-(3-fluoro-4-methylphenyl)methanol

> <PUBCHEM_IUPAC_NAME_MARKUP>
[5-(2-chlorophenyl)-1<I>H</I>-imidazol-2-yl]-(3-fluoro-4-methylphenyl)methanol

> <PUBCHEM_IUPAC_NAME>
[5-(2-chlorophenyl)-1H-imidazol-2-yl]-(3-fluoro-4-methylphenyl)methanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[5-(2-chlorophenyl)-1H-imidazol-2-yl]-(3-fluoranyl-4-methyl-phenyl)methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[5-(2-chlorophenyl)-1H-imidazol-2-yl]-(3-fluoro-4-methyl-phenyl)methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H14ClFN2O/c1-10-6-7-11(8-14(10)19)16(22)17-20-9-15(21-17)12-4-2-3-5-13(12)18/h2-9,16,22H,1H3,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
COIQCTXNBNNFLG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
316.0778689

> <PUBCHEM_MOLECULAR_FORMULA>
C17H14ClFN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
316.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)C(C2=NC=C(N2)C3=CC=CC=C3Cl)O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)C(C2=NC=C(N2)C3=CC=CC=C3Cl)O)F

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
316.0778689

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  17  8
10  18  8
11  15  8
12  16  8
14  15  8
14  16  8
17  20  8
18  21  8
20  22  8
21  22  8
6  3  3
4  7  8
4  9  8
5  13  8
5  7  8
8  11  8
8  12  8
9  13  8

$$$$