Mrv0541 02241205422D          

  6  5  0  0  0  0            999 V2000
    1.2375    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM001130

> <DATABASE_NAME>
chemdb

> <SMILES>
Cl\C=C\[As](Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C2H2AsCl3/c4-2-1-3(5)6/h1-2H/b2-1+

> <INCHI_KEY>
GIKLTQKNOXNBNY-OWOJBTEDSA-N

> <FORMULA>
C2H2AsCl3

> <MOLECULAR_WEIGHT>
207.318

> <EXACT_MASS>
205.843804602

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
13.408712124591611

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
dichloro[(E)-2-chloroethenyl]arsane

> <ALOGPS_LOGP>
2.49

> <JCHEM_LOGP>
2.4988000000000006

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
26.5565

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.88e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lewisite

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1310

> <NAME>
Lewisite

> <CAS>
541-25-3

> <SYNONYMS>
(2-Chloroethenyl)arsonous dichloride; (E)-2-Chloroethenylarsonous dichloride; 1-Chloro-2-di-chloroarsinoethane; 2-Chlorovinyldichloroarsine; b-Chlorovinylbichloroarsine; Beta-chlorovinylbichloroarsine; Beta-chlorovinyldichloroarsine; Chlorovinyl dichloroarsine; Chlorovinylarsine dichloride; Dichloro(2-chlorovinyl)arsine

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

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