Mrv1652305311700252D          

  3  2  0  0  0  0            999 V2000
    0.0558    1.3393    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    0.7703    1.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6586    1.7518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01467

> <DATABASE_NAME>
drugbank

> <SMILES>
C[Se]O

> <INCHI_IDENTIFIER>
InChI=1S/CH4OSe/c1-3-2/h2H,1H3

> <INCHI_KEY>
UFBVEWIZXZVVOD-UHFFFAOYSA-N

> <FORMULA>
CH4OSe

> <MOLECULAR_WEIGHT>
111.013

> <EXACT_MASS>
111.942737

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
5.633066119834511

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methane-SeO-selenoperoxol

> <ALOGPS_LOGP>
-0.81

> <JCHEM_LOGP>
-0.3628

> <ALOGPS_LOGS>
0.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.603034199623274

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4098328410847802

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
21.4596

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.06e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methane-SeO-selenoperoxol

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBMET01467

> <NAME>
Methyl selenic acid

$$$$