Mrv1572004161621592D          

  6  1  0  0  0  0            999 V2000
    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
    2.7696    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1268    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8857   -1.6500    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
M  RAD  1   1   2
M  END
> <DATABASE_ID>
CHEM001158

> <DATABASE_NAME>
chemdb

> <SMILES>
C.C.C.[Pb].[CH2]C

> <INCHI_IDENTIFIER>
InChI=1S/C2H5.3CH4.Pb/c1-2;;;;/h1H2,2H3;3*1H4;

> <INCHI_KEY>
FNNLSMLRYCGCDP-UHFFFAOYSA-N

> <FORMULA>
C5H17Pb

> <MOLECULAR_WEIGHT>
284.4

> <EXACT_MASS>
285.109679

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
4.148626402120881

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethyl tris(methane) plumbane

> <ALOGPS_LOGP>
0.08

> <JCHEM_LOGP>
1.3169

> <ALOGPS_LOGS>
-0.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
9.912

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.17e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl tris(methane) plumbane

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1340

> <NAME>
Ethyltrimethyl lead

> <CAS>
1762-26-1

> <SYNONYMS>
Ethyl(trimethyl)plumbane; Ethyltrimethyllead; Ethyltrimethylplumbane; Trimethylethyllead

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

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