Mrv0541 02241203502D          

  4  3  0  0  0  0            999 V2000
   14.1046  -11.1525    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
   14.9297  -11.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6921  -10.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6921  -11.8670    0.0000 C   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
  4  1  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0012216

> <DATABASE_NAME>
bmdb

> <SMILES>
C[As](C)O

> <INCHI_IDENTIFIER>
InChI=1S/C2H7AsO/c1-3(2)4/h4H,1-2H3

> <INCHI_KEY>
VDEGQTCMQUFPFH-UHFFFAOYSA-N

> <FORMULA>
C2H7AsO

> <MOLECULAR_WEIGHT>
121.998

> <EXACT_MASS>
121.971286263

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
8.368745097851708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimethylarsinous acid

> <ALOGPS_LOGP>
-0.14

> <JCHEM_LOGP>
0.6160000000000001

> <ALOGPS_LOGS>
0.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.641494379493459

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8304103584095612

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
14.1248

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.33e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethylarsinous acid

> <JCHEM_VEBER_RULE>
1

> <BMDB_ID>
BMDB0012216

> <GENERIC_NAME>
Dimethylarsinous acid

$$$$