Mrv0541 02241205372D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Nb  0  2  0  0  0  0  0  0  0  0  0  0
    1.1196    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Nb  0  2  0  0  0  0  0  0  0  0  0  0
    1.1196   -1.6500    0.0000 Nb  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1   2   2   4   3   2   4   2
M  END
> <DATABASE_ID>
T3D1264

> <DATABASE_NAME>
t3db

> <SMILES>
[Nb++].[Nb++].[Nb++].[Sn+4]

> <INCHI_IDENTIFIER>
InChI=1S/3Nb.Sn/q3*+2;+4

> <INCHI_KEY>
LLRBPVLAQHINEM-UHFFFAOYSA-N

> <FORMULA>
Nb3Sn

> <MOLECULAR_WEIGHT>
397.43

> <EXACT_MASS>
398.6213292

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
10

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tin(4+) ion triniobium(2+) ion

> <JCHEM_LOGP>
0

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tin(4+) ion triniobium(2+) ion

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1264

> <NAME>
Niobium tin

> <CAS>
12035-04-0

> <SYNONYMS>
Nb3Sn; Triniobium tin

> <TYPES>
Inorganic Compound; Metal; Tin Compound; Industrial/Workplace Toxin; Synthetic Compound

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