Mrv0541 02241205482D          

  2  1  0  0  0  0            999 V2000
    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 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003998

> <DATABASE_NAME>
chemdb

> <SMILES>
CCl

> <INCHI_IDENTIFIER>
InChI=1S/CH3Cl/c1-2/h1H3

> <INCHI_KEY>
NEHMKBQYUWJMIP-UHFFFAOYSA-N

> <FORMULA>
CH3Cl

> <MOLECULAR_WEIGHT>
50.488

> <EXACT_MASS>
49.992327803

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
4.539457739195465

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloromethane

> <ALOGPS_LOGP>
0.67

> <JCHEM_LOGP>
0.8360147873333332

> <ALOGPS_LOGS>
0.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
11.3123

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.03e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Chloromethane

> <CAS>
74-87-3

> <SYNONYMS>
Methane, chloro-; Methyl Chloride; Methyl chloride

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