Mrv0541 02241205172D          

  6  5  0  0  0  0            999 V2000
    0.1105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  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
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1340

> <DATABASE_NAME>
t3db

> <SMILES>
CC[Pb](C)(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C2H5.3CH3.Pb/c1-2;;;;/h1H2,2H3;3*1H3;

> <INCHI_KEY>
KHQJREYATBQBHY-UHFFFAOYSA-N

> <FORMULA>
C5H14Pb

> <MOLECULAR_WEIGHT>
281.4

> <EXACT_MASS>
282.086186298

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
13.05338516966556

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethyltrimethylplumbane

> <ALOGPS_LOGP>
1.79

> <JCHEM_LOGP>
1.2369999999999997

> <ALOGPS_LOGS>
-1.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
26.9942

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.79e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethyl trimethyl lead

> <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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