Mrv0541 02241205172D          

  8  7  0  0  0  0            999 V2000
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519    0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    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 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
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D1339

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/3C2H5.CH3.Pb/c3*1-2;;/h3*1H2,2H3;1H3;

> <INCHI_KEY>
KGFRUGHBHNUHOS-UHFFFAOYSA-N

> <FORMULA>
C7H18Pb

> <MOLECULAR_WEIGHT>
309.4

> <EXACT_MASS>
310.117486426

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
16.718587406592587

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
triethyl(methyl)plumbane

> <ALOGPS_LOGP>
3.06

> <JCHEM_LOGP>
1.7070000000000005

> <ALOGPS_LOGS>
-1.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
36.5898

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.66e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl triethyl lead

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D1339

> <NAME>
Methyltriethyl lead

> <CAS>
1762-28-3

> <SYNONYMS>
Methyltriethyllead; Methyltriethylplumbane; Triethylmethyllead; Triethylmethylplumbane

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

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