Mrv0541 05161318242D          

  2  1  0  0  0  0            999 V2000
    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 Se  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET01461

> <DATABASE_NAME>
drugbank

> <SMILES>
C[SeH]

> <INCHI_IDENTIFIER>
InChI=1S/CH4Se/c1-2/h2H,1H3

> <INCHI_KEY>
APKHDKJWSHYLEU-UHFFFAOYSA-N

> <FORMULA>
CH4Se

> <MOLECULAR_WEIGHT>
95.0

> <EXACT_MASS>
95.947821956

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
-0.0004602431031100381

> <JCHEM_AVERAGE_POLARIZABILITY>
4.757287886859287

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methaneselenol

> <ALOGPS_LOGP>
-0.82

> <JCHEM_LOGP>
0.06430000000000008

> <ALOGPS_LOGS>
0.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.3368127837657

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
19.464000000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.26e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
biotin

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBMET01461

> <NAME>
Methyl-selenol

$$$$