Mrv0541 02241204342D          

  5  4  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Sn  0  1  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
M  CHG  1   5   3
M  END
> <DATABASE_ID>
T3D1245

> <DATABASE_NAME>
t3db

> <SMILES>
CCCC[Sn+3]

> <INCHI_IDENTIFIER>
InChI=1S/C4H9.Sn/c1-3-4-2;/h1,3-4H2,2H3;/q;+3

> <INCHI_KEY>
NPAIMXWXWPJRES-UHFFFAOYSA-N

> <FORMULA>
C4H9Sn

> <MOLECULAR_WEIGHT>
175.82

> <EXACT_MASS>
176.972621859

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
10.083063124290348

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
butylstannanetris(ylium)

> <ALOGPS_LOGP>
3.45

> <JCHEM_LOGP>
0.8429000000000001

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
19.471899999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.47e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
butylstannanetris(ylium)

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1245

> <NAME>
Monobutyltin

> <CAS>
78763-54-9

> <SYNONYMS>
Butyltin

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

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