Mrv0541 02241205242D          

  6  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2393    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.4786    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -1.6500    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    4.3607   -1.6500    0.0000 Nb  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  1   5  -1
M  END
> <DATABASE_ID>
T3D1742

> <DATABASE_NAME>
t3db

> <SMILES>
Br.Br.Br.Br.[Br-].[Nb]

> <INCHI_IDENTIFIER>
InChI=1S/5BrH.Nb/h5*1H;/p-1

> <INCHI_KEY>
ITWCCCHTECIZSS-UHFFFAOYSA-M

> <FORMULA>
Br5H4Nb

> <MOLECULAR_WEIGHT>
496.458

> <EXACT_MASS>
491.529365906

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
3.693550401322183

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrahydrobromide niobium bromide

> <JCHEM_LOGP>
0.7978339843333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-7.999999999999997

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
9.3991

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrobromide niobium bromide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1742

> <NAME>
Niobium(V) bromide

> <CAS>
13748-45-0

> <SYNONYMS>
NbBr5; Niobium bromide; Niobium pentabromide

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

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