Mrv1652306031608442D          

  4  3  0  0  0  0            999 V2000
    2.0625   -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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
M  RAD  1   1   2
M  END
> <DATABASE_ID>
CHEM044980

> <DATABASE_NAME>
chemdb

> <SMILES>
[CH2]CCCl

> <INCHI_IDENTIFIER>
InChI=1S/C3H6Cl/c1-2-3-4/h1-3H2

> <INCHI_KEY>
YZNQITSGDRCUKE-UHFFFAOYSA-N

> <FORMULA>
C3H6Cl

> <MOLECULAR_WEIGHT>
77.53

> <EXACT_MASS>
77.0158029

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
8.099929688818552

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-chloropropyl

> <ALOGPS_LOGP>
2.09

> <JCHEM_LOGP>
1.7127999999999999

> <ALOGPS_LOGS>
-1.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
19.4927

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.90e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-chloropropyl

> <JCHEM_VEBER_RULE>
1

> <NAME>
3-chloropropyl chloroformiate

> <CAS>
628-11-5

$$$$