Mrv1652306031608132D          

 21 23  0  0  0  0            999 V2000
   -3.4105    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9980    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1105    5.1414    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    4.5375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044426

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1=CC=CC=C1C(Cl)(C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H14Cl2/c20-18-14-8-7-13-17(18)19(21,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H

> <INCHI_KEY>
JFLSOKIMYBSASW-UHFFFAOYSA-N

> <FORMULA>
C19H14Cl2

> <MOLECULAR_WEIGHT>
313.22

> <EXACT_MASS>
312.0472559

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
32.54704163989721

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-chloro-2-(chlorodiphenylmethyl)benzene

> <ALOGPS_LOGP>
6.07

> <JCHEM_LOGP>
6.597014599333334

> <ALOGPS_LOGS>
-7.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
91.1673

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.40e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-chloro-2-(chlorodiphenylmethyl)benzene

> <JCHEM_VEBER_RULE>
1

> <NAME>
1-chloro-2-(chlorodiphenylmethyl)benzene

> <CAS>
42074-68-0

$$$$