Mrv0541 02241205172D          

  6  5  0  0  0  0            999 V2000
    1.4924    0.4849    0.0000 Cl  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
    0.5701   -0.7846    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4924   -0.4849    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5701    0.7846    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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1296

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/AsCl5/c2-1(3,4,5)6

> <INCHI_KEY>
ZSRZHCIWJJKHAU-UHFFFAOYSA-N

> <FORMULA>
AsCl5

> <MOLECULAR_WEIGHT>
252.187

> <EXACT_MASS>
249.765859952

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
15.899458762185048

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentachloro-λ⁵-arsane

> <JCHEM_LOGP>
3.9224999999999994

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
30.6815

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
arsenic pentachloride

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1296

> <NAME>
Arsenic pentachloride

> <CAS>
22441-45-8

> <SYNONYMS>
AsCl5

> <TYPES>
Inorganic Compound; Arsenic Compound; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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