[NO NAME]
  Mrv0541 04201208162D          
Created with ChemWriter - http://chemwriter.com
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M  END
> <DATABASE_ID>
CHEM021404

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCC1=NC(Cl)=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)

> <INCHI_KEY>
ZEUXAIYYDDCIRX-UHFFFAOYSA-N

> <FORMULA>
C22H21ClN6O2

> <MOLECULAR_WEIGHT>
436.894

> <EXACT_MASS>
436.141451653

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
44.610486275804945

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-butyl-4-chloro-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazole-5-carboxylic acid

> <ALOGPS_LOGP>
4.50

> <JCHEM_LOGP>
4.92617168525524

> <ALOGPS_LOGS>
-5.03

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.39977139553307

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.169717210183476

> <JCHEM_PKA_STRONGEST_BASIC>
3.56956947858355

> <JCHEM_POLAR_SURFACE_AREA>
109.58000000000001

> <JCHEM_REFRACTIVITY>
132.28990000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.12e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-butyl-5-chloro-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)imidazole-4-carboxylic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Losartan carboxylic acid

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