Mrv0541 02241204112D          

  5  4  0  0  0  0            999 V2000
    0.8252    1.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2377    0.7147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8252    0.0000    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    1.2377   -0.7147    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  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
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1309

> <DATABASE_NAME>
t3db

> <SMILES>
CC[As](Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2H5AsCl2/c1-2-3(4)5/h2H2,1H3

> <INCHI_KEY>
LQSFEOMOHFPNEB-UHFFFAOYSA-N

> <FORMULA>
C2H5AsCl2

> <MOLECULAR_WEIGHT>
174.889

> <EXACT_MASS>
173.898426991

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
12.025590332003654

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloro(ethyl)arsane

> <ALOGPS_LOGP>
2.05

> <JCHEM_LOGP>
1.7528000000000001

> <ALOGPS_LOGS>
-1.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
22.883899999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.25e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyldichloroarsine

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1309

> <NAME>
Ethyldichloroarsine

> <CAS>
598-14-1

> <SYNONYMS>
Arsenic dichloroethane; Dichloro(ethyl)arsine; Dichloroethylarsine; Ethylarsonous dichloride; Ethyldichlorarsine

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

$$$$