Mrv0541 02241205442D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1627

> <DATABASE_NAME>
t3db

> <SMILES>
Cl[V](Cl)(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/3ClH.O.V/h3*1H;;/q;;;;+3/p-3

> <INCHI_KEY>
JBIQAPKSNFTACH-UHFFFAOYSA-K

> <FORMULA>
Cl3OV

> <MOLECULAR_WEIGHT>
173.3

> <EXACT_MASS>
171.845436418

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
10.493435311903973

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloro(oxo)vanadium

> <JCHEM_LOGP>
1.5520999999999996

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.993609932811416

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
19.851800000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
trichlorooxovanadium

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1627

> <NAME>
Vanadium oxytrichloride

> <CAS>
7727-18-6

> <SYNONYMS>
Trichlorooxo vanadium; Trichlorooxovanadium; Trichlorooxovanadium oxide; Vanadium chloride oxide; Vanadium monoxide trichloride; Vanadium oxide trichloride; Vanadium oxychloride; Vanadium trichloride monooxide; Vanadium trichloride monoxide; Vanadium trichloride oxide; Vanadyl chloride; Vanadyl chloride (VOCl3); Vanadyl trichloride; Vanadyl(IV) chloride; VOCl3

> <TYPES>
Inorganic Compound; Vanadium Compound; Industrial/Workplace Toxin; Synthetic Compound

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