Mrv1652306031607162D          

 13 12  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3147   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6002   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 Sn  0  2  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  2  0  0  0  0
 12 10  2  0  0  0  0
 12 11  1  0  0  0  0
M  CHG  1  13   2
M  RAD  2   6   2  12   2
M  END
> <DATABASE_ID>
CHEM043790

> <DATABASE_NAME>
chemdb

> <SMILES>
[Sn++].[C]1=CC=CC=C1.[C]1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;/q;;+2

> <INCHI_KEY>
REDQKWLFDLRJJO-UHFFFAOYSA-N

> <FORMULA>
C12H10Sn

> <MOLECULAR_WEIGHT>
272.921

> <EXACT_MASS>
273.979355

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
8.535208659171051

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
2.03

> <JCHEM_LOGP>
1.7055

> <ALOGPS_LOGS>
-1.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
25.9213

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e+00 g/l

> <JCHEM_VEBER_RULE>
1

> <NAME>
Diphenyltin compounds - Diphenyltin ion

> <CAS>
1135-99-5

$$$$