Mrv1652310281621042D          

  8  7  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -0.3020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -1.1270    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM046182

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl\C=C(\Cl)C(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C3HCl5/c4-1-2(5)3(6,7)8/h1H/b2-1+

> <INCHI_KEY>
JRIUOOQEOFUGNA-OWOJBTEDSA-N

> <FORMULA>
C3HCl5

> <MOLECULAR_WEIGHT>
214.29

> <EXACT_MASS>
211.8520885

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
15.445323890275676

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1E)-1,2,3,3,3-pentachloroprop-1-ene

> <ALOGPS_LOGP>
3.98

> <JCHEM_LOGP>
3.0318914166666664

> <ALOGPS_LOGS>
-3.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
40.604

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.31e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1E)-1,2,3,3,3-pentachloroprop-1-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
(1E)-1,2,3,3,3-pentachloroprop-1-ene

$$$$