Mrv0541 02241205062D          

  3  2  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1234

> <DATABASE_NAME>
t3db

> <SMILES>
O=[Sn]=O

> <INCHI_IDENTIFIER>
InChI=1S/2O.Sn

> <INCHI_KEY>
XOLBLPGZBRYERU-UHFFFAOYSA-N

> <FORMULA>
O2Sn

> <MOLECULAR_WEIGHT>
150.71

> <EXACT_MASS>
151.892025815

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.5573139747087925

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
stannanedione

> <JCHEM_LOGP>
-1.2027999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.6230471342661553

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tin dioxide

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1234

> <NAME>
Tin(IV) oxide

> <CAS>
18282-10-5

> <SYNONYMS>
Cassiterite; Flowers OF tin; Stannic anhydride; Stannic dioxide; Stannic oxide; Stannoxyl; Tin dioxide; Tin oxide; Tin peroxide; White tin oxide

> <TYPES>
Inorganic Compound; Tin Compound; Household Toxin; Industrial/Workplace Toxin; Natural Compound

$$$$