Mrv1572004191601082D          

  4  3  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
    1.2375   -0.7145    0.0000 C   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
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004006

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3

> <INCHI_KEY>
ULYZAYCEDJDHCC-UHFFFAOYSA-N

> <FORMULA>
C3H7Cl

> <MOLECULAR_WEIGHT>
78.54

> <EXACT_MASS>
78.0236279

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
8.284086871710883

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-chloropropane

> <ALOGPS_LOGP>
1.49

> <JCHEM_LOGP>
1.6093977666666666

> <ALOGPS_LOGS>
-1.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
20.4797

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-chloropropane

> <JCHEM_VEBER_RULE>
1

> <NAME>
Isopropyl chloride

> <CAS>
75-29-6

> <SYNONYMS>
2-chloropropane; Propane, 2-chloro-

$$$$