Mrv0541 02241204362D          

  5  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 V   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1645

> <DATABASE_NAME>
t3db

> <SMILES>
N.O[V](=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H3N.H2O.2O.V/h1H3;1H2;;;/q;;;;+1/p-1

> <INCHI_KEY>
YBVKNHXQSRDWAA-UHFFFAOYSA-M

> <FORMULA>
H4NO3V

> <MOLECULAR_WEIGHT>
116.9782

> <EXACT_MASS>
116.963081674

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
5.345619290031328

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
vanadiumoylol amine

> <JCHEM_LOGP>
-1.2389999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.565131090066458

> <JCHEM_POLAR_SURFACE_AREA>
54.37

> <JCHEM_REFRACTIVITY>
5.4504

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
amine dihydrogenvanadate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1645

> <NAME>
Ammonium metavanadate

> <CAS>
7803-55-6

> <SYNONYMS>
Ammonium metavanadate (NH4VO3); Ammonium metavanadic acid; Ammonium monovanadate; Ammonium trioxovanadate; Ammonium trioxovanadate(1-); Ammonium vanadate; Ammonium vanadate ((NH4)VO3); Ammonium vanadate (NH4VO3); Ammonium vanadium oxide (NH4VO3); Ammonium vanadium trioxide; RCRA waste no. P119; RCRA waste number P119; Vanadate (VO3(1-)), ammonium; Vanadate (VO31-), ammonium; Vanadic acid (hvo3), ammonium salt; Vanadic acid (hvo3), ammonium salt (8ci); Vanadic acid, ammonium salt

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

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