Mrv1652310281621032D          

  6  5  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    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
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM046165

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H3Cl3/c4-2-1-3(5)6/h1-3H/b2-1+

> <INCHI_KEY>
KHMZDLNSWZGRDB-OWOJBTEDSA-N

> <FORMULA>
C3H3Cl3

> <MOLECULAR_WEIGHT>
145.41

> <EXACT_MASS>
143.9300332

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
11.735655767377224

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1E)-1,3,3-trichloroprop-1-ene

> <ALOGPS_LOGP>
2.59

> <JCHEM_LOGP>
2.5531624006666664

> <ALOGPS_LOGS>
-2.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
30.3307

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.24e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1E)-1,3,3-trichloroprop-1-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
(1E)-1,3,3-trichloroprop-1-ene

$$$$