Mrv1572004191601182D          

  7  6  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   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
  7  2  1  0  0  0  0
  7  4  1  0  0  0  0
  7  5  2  0  0  0  0
  7  6  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004355

> <DATABASE_NAME>
chemdb

> <SMILES>
ClCCS(Cl)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2

> <INCHI_KEY>
VHCSBTPOPKFYIU-UHFFFAOYSA-N

> <FORMULA>
C2H4Cl2O2S

> <MOLECULAR_WEIGHT>
163.01

> <EXACT_MASS>
161.9309059

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
12.720120728097811

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-chloroethane-1-sulfonyl chloride

> <ALOGPS_LOGP>
0.68

> <JCHEM_LOGP>
0.6217018043333333

> <ALOGPS_LOGS>
-1.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
29.570300000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.58e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-chloroethanesulfonyl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Ethanesulfonyl chloride, 2-chloro-

> <CAS>
1622-32-8

$$$$