Mrv1652303202019022D          

  3  2  0  0  0  0            999 V2000
    1.9520   -1.1270    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
    2.6664   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0080

> <DATABASE_NAME>
t3db

> <SMILES>
ClCCl

> <INCHI_IDENTIFIER>
InChI=1S/CH2Cl2/c2-1-3/h1H2

> <INCHI_KEY>
YMWUJEATGCHHMB-UHFFFAOYSA-N

> <FORMULA>
CH2Cl2

> <MOLECULAR_WEIGHT>
84.933

> <EXACT_MASS>
83.953355478

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
6.5264767935529076

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloromethane

> <ALOGPS_LOGP>
1.12

> <JCHEM_LOGP>
1.2889379223333333

> <ALOGPS_LOGS>
-0.69

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
16.438299999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.75e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methylene chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0080

> <NAME>
Dichloromethane

> <CAS>
1975-09-02

> <SYNONYMS>
Aerothene; Aerothene MM; CH2Cl2; DCM; Dichloro-Methane; Distillex DS3; Driverit; Freon 30; M-Clean D; Methane dichloride; Methoklone; Methylene bichloride; Methylene chloride; Methylene dichloride; Narkotil; Nevolin; Salesthin; Solaesthin; Solmethine

> <TYPES>
Organic Compound; Organochloride; Solvent; Pesticide; Pollutant; Food Toxin; Metabolite; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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