Mrv0541 02241204212D          

  9  8  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
    1.9520    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
    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
    1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    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
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
T3D0338

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;

> <INCHI_KEY>
MRMOZBOQVYRSEM-UHFFFAOYSA-N

> <FORMULA>
C8H20Pb

> <MOLECULAR_WEIGHT>
323.4

> <EXACT_MASS>
324.13313649

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
18.54888678609457

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
tetraethylplumbane

> <ALOGPS_LOGP>
3.88

> <JCHEM_LOGP>
1.9420000000000002

> <ALOGPS_LOGS>
-1.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
41.3876

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.31e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetraethyl lead

> <JCHEM_VEBER_RULE>
1

> <T3DB_ID>
T3D0338

> <NAME>
Tetraethyl lead

> <CAS>
78-00-2

> <SYNONYMS>
Lead tetraethide; Lead tetraethyl; PbEt4; TEL; Tel-TML, reacted; Tetra(methylethyl)lead; Tetra-ethyl lead; Tetraethylplumbane; Tetraethylplumbium; [PbEt4]

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

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