Mrv0541 02241205372D          

 17 12  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0
    3.2411    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0696    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4821   -0.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2446    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -3.7934    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2411   -3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536   -3.7934    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4161   -3.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  CHG  5   1   2   4  -1   8  -1  12  -1  16  -1
M  END
> <DATABASE_ID>
T3D1332

> <DATABASE_NAME>
t3db

> <SMILES>
[Pb++].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/4C2H4O2.Pb/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+2/p-4

> <INCHI_KEY>
ACKFDYCQCBEDNU-UHFFFAOYSA-J

> <FORMULA>
C8H12O8Pb

> <MOLECULAR_WEIGHT>
443.4

> <EXACT_MASS>
444.02985321

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955940651539537

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-lead(2+) ion tetraacetate

> <JCHEM_LOGP>
-0.2233457143333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.543439679000835

> <JCHEM_POLAR_SURFACE_AREA>
40.129999999999995

> <JCHEM_REFRACTIVITY>
23.480800000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
λ²-lead(2+) ion tetraacetate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1332

> <NAME>
Lead tetraacetate

> <CAS>
546-67-8

> <SYNONYMS>
Acetic acid, lead(4+) salt; Lead (IV) aceate; Lead (IV) acetate; Lead tetraacetic acid; lead(4+) tetraacetate; Lead(IV) acetate; Tetrakis(acetyloxy)plumbane

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

$$$$