Mrv1652306031607422D          

 12 12  0  0  0  0            999 V2000
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.8843    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0604   -0.9748    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5949   -0.4987    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9728    1.8330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    1.8330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM044106

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1C(Cl)C(Cl)(Cl)C(Cl)C1(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C5H3Cl7/c6-1-2(7)5(11,12)3(8)4(1,9)10/h1-3H

> <INCHI_KEY>
XCEUTYGYMGYCBG-UHFFFAOYSA-N

> <FORMULA>
C5H3Cl7

> <MOLECULAR_WEIGHT>
311.23

> <EXACT_MASS>
307.805444

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
23.209375843167088

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,2,3,3,4,5-heptachlorocyclopentane

> <ALOGPS_LOGP>
4.89

> <JCHEM_LOGP>
5.307764896

> <ALOGPS_LOGS>
-4.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
56.050499999999985

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.22e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,2,3,3,4,5-heptachlorocyclopentane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Heptachlorocyclopentane

> <CAS>
68258-90-2

$$$$