Mrv1572004161621572D          

 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 Cl  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>
CHEM001064

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
BAFNXUSQQCMQON-UHFFFAOYSA-M

> <FORMULA>
C12H30ClSn

> <MOLECULAR_WEIGHT>
328.53

> <EXACT_MASS>
329.105806

> <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

> <T3DB_ID>
T3D1243

> <NAME>
Tributyltin chloride

> <CAS>
1461-22-9

> <SYNONYMS>
Chloride tri-n-butyltin; Chlorotri-n-butyltin; Chlorotributylstannane; Chlorotributyltin; Monochlorotributyltin; Stannane, tributylchloro-; Tin, tri-n-butyl-, chloride; Tri-n-butylchlorotin; Tri-n-butyltin chloride; Tri-normal-butyltin chloride; Tributyl tin chloride; Tributyl(chloro)stannane; Tributylchlorostannane; Tributylchlorotin; Tributylstannium chloride; Tributylstannyl chloride

> <TYPES>
Organic Compound; Pesticide; Tin Compound; Organometallic; Pollutant; Industrial/Workplace Toxin; Synthetic Compound

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