Mrv0541 02241204352D          

  7  6  0  0  0  0            999 V2000
    1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM001126

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H12As2O/c1-5(2)7-6(3)4/h1-4H3

> <INCHI_KEY>
LOKPKYSOCCPWIZ-UHFFFAOYSA-N

> <FORMULA>
C4H12As2O

> <MOLECULAR_WEIGHT>
225.9807

> <EXACT_MASS>
225.93200784

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
15.638458208013583

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dimethylarsanyl dimethylarsinite

> <ALOGPS_LOGP>
1.32

> <JCHEM_LOGP>
2.5756

> <ALOGPS_LOGS>
-0.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.894682512690699

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
24.4706

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.98e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cacodyl oxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1306

> <NAME>
Cacodyl oxide

> <CAS>
503-80-0

> <SYNONYMS>
Arsinous acid, dimethyl-, anhydride; Bis(dimethylarsine) oxide; Dimethylarsine oxide; Dimethylarsinous acid anhydride

> <TYPES>
Arsenic Compound; Organic Compound; Organometallic; Industrial/Workplace Toxin; Synthetic Compound

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