Mrv1909 02102017192D          

 14 13  0  0  0  0            999 V2000
    1.4289   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1432   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1430   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290   -0.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5008   -0.7968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  1  1  0  0  0  0
  2 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  2  4  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
DB08601

> <DATABASE_NAME>
drugbank

> <SMILES>
[H][Sn](CCCC)(CCCC)CCCC

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

> <INCHI_KEY>
DBGVGMSCBYYSLD-UHFFFAOYSA-N

> <FORMULA>
C12H27Sn

> <MOLECULAR_WEIGHT>
290.05

> <EXACT_MASS>
291.113472435

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
27.44789153186594

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tributylstannane

> <ALOGPS_LOGP>
6.27

> <JCHEM_LOGP>
3.202700000000001

> <ALOGPS_LOGS>
-3.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
59.2157

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.13e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9-hydroxyminocycline

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB08601

> <DRUG_GROUPS>
experimental

> <GENERIC_NAME>
Tributyltin

> <SYNONYMS>
Tri-n-butylstannane hydride; Tri-n-butyltin hydride; Tributylstannane; Tributylstannanyl; Tributyltin hydride

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