Mrv1572004191601192D          

 14  9  0  0  0  0            999 V2000
    0.8250    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8321    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5946    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5964   -3.0789    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0
    3.7714   -3.0789    0.0000 Sn  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  1  0  0  0  0
M  CHG  2  13  -1  14   1
M  RAD  3   1   2   5   2   9   2
M  END
> <DATABASE_ID>
CHEM004367

> <DATABASE_NAME>
chemdb

> <SMILES>
[F-].[SnH3+].[CH2]CCC.[CH2]CCC.[CH2]CCC

> <INCHI_IDENTIFIER>
InChI=1S/3C4H9.FH.Sn.3H/c3*1-3-4-2;;;;;/h3*1,3-4H2,2H3;1H;;;;/q;;;;+1;;;/p-1

> <INCHI_KEY>
IIEDLZKQQSTCNO-UHFFFAOYSA-M

> <FORMULA>
C12H30FSn

> <MOLECULAR_WEIGHT>
312.08

> <EXACT_MASS>
313.135356

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
7.9910330477349065

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
2.81

> <JCHEM_LOGP>
2.1095

> <ALOGPS_LOGS>
-1.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
19.114

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.12e-01 g/l

> <JCHEM_VEBER_RULE>
1

> <NAME>
Tributyltin fluoride

> <CAS>
1983-10-4

$$$$