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 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
    0.0000   -1.4289    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
M  END
> <DATABASE_ID>
CHEM046163

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1+

> <INCHI_KEY>
HIILBTHBHCLUER-HNQUOIGGSA-N

> <FORMULA>
C3H3Cl3

> <MOLECULAR_WEIGHT>
145.41

> <EXACT_MASS>
143.9300332

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
11.611402815637998

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
2.53

> <JCHEM_LOGP>
2.1212252366666666

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
29.9928

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.47e+00 g/l

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

> <JCHEM_VEBER_RULE>
1

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

$$$$