Mrv1572004191601222D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    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
    0.8250    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
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004460

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4)

> <INCHI_KEY>
XTHPWXDJESJLNJ-UHFFFAOYSA-N

> <FORMULA>
ClHO3S

> <MOLECULAR_WEIGHT>
116.52

> <EXACT_MASS>
115.9334928

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
7.587371141823301

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxidanesulfonyl chloride

> <ALOGPS_LOGP>
-1.37

> <JCHEM_LOGP>
-0.07615571166666665

> <ALOGPS_LOGS>
-0.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.5643687380760163

> <JCHEM_POLAR_SURFACE_AREA>
54.37

> <JCHEM_REFRACTIVITY>
17.3425

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.53e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oxidanesulfonyl chloride

> <JCHEM_VEBER_RULE>
0

> <NAME>
Chlorosulfonic acid

> <CAS>
7790-94-5

> <SYNONYMS>
Chlorosulfuric acid

$$$$