49789971
  -OEChem-05042400302D

 33 35  0     1  0  0  0  0  0999 V2000
    2.0000   -3.6783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.6783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3077    4.6783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026    0.8162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5116   -0.5850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6783    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    1.9377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    2.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0820    2.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9064    3.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    2.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9010    3.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2418    1.2311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7974    0.0933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.8683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8831    2.6819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4464    1.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.4883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5420    4.1618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    3.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 31  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 20  1  0  0  0  0
 15 28  1  0  0  0  0
 16 21  2  0  0  0  0
 16 29  1  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 20 22  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49789971

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIQCAAADB7hnyY9kJbJkgCgAzZnZASCgC2xF6AJ22A4fpiKfqLBmxGUcAhs0APY2CeQwKAOBAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4-dichlorophenyl)methanol

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

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

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

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4-dichlorophenyl)methanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[5-(4-chlorophenyl)-1H-imidazol-2-yl]-(3,4-dichlorophenyl)methanol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H11Cl3N2O/c17-11-4-1-9(2-5-11)14-8-20-16(21-14)15(22)10-3-6-12(18)13(19)7-10/h1-8,15,22H,(H,20,21)

> <PUBCHEM_IUPAC_INCHIKEY>
QFJXGXINXIAGCS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.5

> <PUBCHEM_EXACT_MASS>
351.993696

> <PUBCHEM_MOLECULAR_FORMULA>
C16H11Cl3N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
353.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C2=CN=C(N2)C(C3=CC(=C(C=C3)Cl)Cl)O)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C2=CN=C(N2)C(C3=CC(=C(C=C3)Cl)Cl)O)Cl

> <PUBCHEM_CACTVS_TPSA>
48.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
351.993696

> <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  12  8
11  15  8
11  16  8
13  17  8
14  18  8
15  20  8
16  21  8
17  19  8
18  19  8
20  22  8
21  22  8
7  4  3
5  10  8
5  8  8
6  12  8
6  8  8
9  13  8
9  14  8

$$$$