Mrv1533004161522002D          

  8  7  0  0  0  0            999 V2000
    1.2375    2.1434    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 O   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
    1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020893

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC(Cl)C(=O)C(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H

> <INCHI_KEY>
DJWVKJAGMVZYFP-UHFFFAOYSA-N

> <FORMULA>
C3H2Cl4O

> <MOLECULAR_WEIGHT>
195.85

> <EXACT_MASS>
193.8859755

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
14.351491430447249

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,1,3,3-tetrachloropropan-2-one

> <ALOGPS_LOGP>
2.19

> <JCHEM_LOGP>
2.6693364636666668

> <ALOGPS_LOGS>
-2.34

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.22446286407851

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.318980126034386

> <JCHEM_PKA_STRONGEST_BASIC>
-8.70926191108681

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
36.1464

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.94e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1,3,3-tetrachloropropan-2-one

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,1,3,3-Tetrachloropropanone

$$$$