Mrv0541 02241204182D          

  3  2  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -1.1270    0.0000 C   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0183

> <DATABASE_NAME>
t3db

> <SMILES>
CCCl

> <INCHI_IDENTIFIER>
InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3

> <INCHI_KEY>
HRYZWHHZPQKTII-UHFFFAOYSA-N

> <FORMULA>
C2H5Cl

> <MOLECULAR_WEIGHT>
64.514

> <EXACT_MASS>
64.007977867

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
6.424913758595933

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
chloroethane

> <ALOGPS_LOGP>
1.47

> <JCHEM_LOGP>
1.192822742

> <ALOGPS_LOGS>
-0.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
16.0609

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.41e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl chloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0183

> <NAME>
Chloroethane

> <CAS>
75-00-3

> <SYNONYMS>
1-Chloroethane; Anodynon; Chelen; Chlorene; Chlorethyl; Chloryl; Chloryl anesthetic; EtCl; Ether hydrochloric; Ether muriatic; Ethyl chloride; Hydrochloric ether; Kelene; Mono-chloroethane; Monochlorethane; Monochloroethane; Muriatic ether; Narcotile

> <TYPES>
Organic Compound; Industrial Precursor/Intermediate; Organochloride; Pollutant; Household Toxin; Industrial/Workplace Toxin; Synthetic Compound

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