257
  Mrv0541 02231214332D          

 25 28  0  0  0  0            999 V2000
    2.6961   -1.4598    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1251    1.0153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5376    2.2848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251   -0.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106   -1.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8396   -1.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3626    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8876   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3626   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4577    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7925    1.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7126    2.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4106   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8396   -1.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1876    0.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1876   -0.5242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1251   -2.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6001    0.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 15  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  2  0  0  0  0
 13 22  2  0  0  0  0
 14 16  2  0  0  0  0
 17 23  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  2  0  0  0  0
 20 25  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB00257

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Clotrimazole

> <SYNONYMS>
Chlotrimazole; Clotrimazol

> <BRANDS>
Canesten; Canesten 1-Day Cream Combi-Pak; Canesten 1-Day Therapy; Canesten 3-Day Therapy; Canesten 6-Day Therapy; Canesten Combi-Pak 1-Day Therapy; Canesten Combi-Pak 3-Day Therapy; Canesten Cream; Canesten Solution; Canestine; Canifug; Cimitidine; Clotrimaderm; Empecid; FemCare; Gyne lotrimin; Gyne-lotrimin; Gyne-Lotrimin 3; Gyne-Lotrimin 3 Combination Pack; Gyne-Lotrimin Combination Pack; Gynix; Lotrimin; Lotrimin Af; Lotrimin AF Cream; Lotrimin AF Jock-Itch Cream; Lotrimin AF Lotion; Lotrimin AF Solution; Lotrimin Cream; Lotrimin Lotion; Lotrimin Solution; Mono-baycuten; Mycelax; Mycelex; Mycelex 7; Mycelex Cream; Mycelex G; Mycelex Solution; Mycelex Troches; Mycelex Twin Pack; Mycelex-7; Mycelex-7 Combination Pack; Mycelex-G; Myclo Cream; Myclo Solution; Myclo Spray Solution; Myclo-Gyne; Mycosporin; Mykosporin; Neo-Zol Cream; Trimysten; Trivagizole 3

> <CHEMICAL_FORMULA>
C22H17ClN2

> <MOLECULAR_WEIGHT>
344.837

> <EXACT_MASS>
344.108026261

> <IUPAC_NAME>
1-[(2-chlorophenyl)diphenylmethyl]-1H-imidazole

> <INCHI_IDENTIFIER>
InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H

> <INCHI_KEY>
InChIKey=VNFPBHJOKIVQEB-UHFFFAOYSA-N

> <SMILES>
ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_DONOR_COUNT>
0

> <ALOGPS_LOGP>
5.48

> <JCHEM_LOGP>
5.84

> <ALOGPS_LOGS>
-5.4

> <JCHEM_POLARIZABILITY>
36.25

> <JCHEM_POLAR_SURFACE_AREA>
17.82

> <JCHEM_REFRACTIVITY>
103.76

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <ALOGPS_SOLUBILITY>
1.47e-03 g/l

$$$$