Mrv0541 09051414392D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1   4
M  END
> <DATABASE_ID>
T3D0796

> <DATABASE_NAME>
t3db

> <SMILES>
[Sn+4]

> <INCHI_IDENTIFIER>
InChI=1S/Sn/q+4

> <INCHI_KEY>
SYRHIZPPCHMRIT-UHFFFAOYSA-N

> <FORMULA>
Sn

> <MOLECULAR_WEIGHT>
118.71

> <EXACT_MASS>
119.900002251

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tin(4+) ion

> <JCHEM_LOGP>
-0.5

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
4

> <JCHEM_PKA>
3.55

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.09

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tin(4+) ion

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0796

> <NAME>
Tin

> <CAS>
7440-31-5

> <SYNONYMS>
Sn; Sn(2+); Sn(4+); Sn(II); Sn(IV); Stanum; Tin flake; Tin powder; Tin(2+) ion; Tin(4+) ion; Tin(II) ion; Tin(IV) ion

> <TYPES>
Inorganic Compound; Metal; Pesticide; Tin Compound; Food Toxin; Metabolite; Household Toxin; Natural Compound

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