Mrv1572004191601162D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 F   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>
DB13058

> <DATABASE_NAME>
drugbank

> <SMILES>
CS(F)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH3FO2S/c1-5(2,3)4/h1H3

> <INCHI_KEY>
KNWQLFOXPQZGPX-UHFFFAOYSA-N

> <FORMULA>
CH3FO2S

> <MOLECULAR_WEIGHT>
98.09

> <EXACT_MASS>
97.983778674

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
6.952999648321615

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanesulfonyl fluoride

> <ALOGPS_LOGP>
0.50

> <JCHEM_LOGP>
-0.48256650499999987

> <ALOGPS_LOGS>
-1.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
15.4682

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.16e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
fluoromethyl sulfone

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB13058

> <DRUG_GROUPS>
investigational

> <GENERIC_NAME>
Methanesulfonyl Fluoride

$$$$