Mrv0541 02241205222D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 V   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 V   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  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1634

> <DATABASE_NAME>
t3db

> <SMILES>
O=[V]O[V]=O

> <INCHI_IDENTIFIER>
InChI=1S/3O.2V

> <INCHI_KEY>
KFAFTZQGYMGWLU-UHFFFAOYSA-N

> <FORMULA>
O3V2

> <MOLECULAR_WEIGHT>
149.8812

> <EXACT_MASS>
149.872671216

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
7.355899180418524

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
oxo[(oxovanadio)oxy]vanadium

> <JCHEM_LOGP>
-0.43159999999999993

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9690778890174876

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
4.236

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
vanadium(III) oxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1634

> <NAME>
Vanadium(III) oxide

> <CAS>
1314-34-7

> <SYNONYMS>
Vanadic oxide; Vanadium oxide; Vanadium oxide (V2O3); Vanadium sesquioxide; Vanadium trioxide; VANADIUM TRIOXIDE, V2O3; Vanadium(3)oxide

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

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