Mrv1572004161622022D          

  5  0  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
    3.0643    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 V   0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  2   2  -1   5   1
M  END
> <DATABASE_ID>
CHEM001405

> <DATABASE_NAME>
chemdb

> <SMILES>
N.O.O.[OH-].[V+]

> <INCHI_IDENTIFIER>
InChI=1S/H3N.3H2O.V/h1H3;3*1H2;/q;;;;+1/p-1

> <INCHI_KEY>
RHKNLLIEHBACQX-UHFFFAOYSA-M

> <FORMULA>
H8NO3V

> <MOLECULAR_WEIGHT>
121.01

> <EXACT_MASS>
120.994375

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
1.9904529105652708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
vanadium(1+) ion amine dihydrate hydroxide

> <JCHEM_LOGP>
-0.9779999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.861981369487705

> <JCHEM_POLAR_SURFACE_AREA>
13.59

> <JCHEM_REFRACTIVITY>
15.5149

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
vanadium(1+) ion amine dihydrate hydroxide

> <JCHEM_VEBER_RULE>
1

> <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

$$$$