Mrv1572004191601162D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004294

> <DATABASE_NAME>
chemdb

> <SMILES>
CP(Cl)(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH3Cl2OP/c1-5(2,3)4/h1H3

> <INCHI_KEY>
SCLFRABIDYGTAZ-UHFFFAOYSA-N

> <FORMULA>
CH3Cl2OP

> <MOLECULAR_WEIGHT>
132.91

> <EXACT_MASS>
131.9298571

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
9.307212422955025

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methylphosphonoyl dichloride

> <ALOGPS_LOGP>
0.67

> <JCHEM_LOGP>
0.7424307806666667

> <ALOGPS_LOGS>
-1.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
24.321400000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl phosphonic dichloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methyl phosphonic dichloride

> <CAS>
676-97-1

$$$$