Mrv0541 02241205582D          

 13 10  0  0  0  0            999 V2000
    0.0000   -0.2750    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    3.1305   -1.1432    0.0000 Pb  0  3  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180   -0.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180    1.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9555    0.2858    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1305    0.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9366    0.0000 Pb  0  3  0  0  0  0  0  0  0  0  0  0
   -0.4125   -4.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.7932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.5076    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  1  3  1  0  0  0  0
  5  2  1  0  0  0  0
  5  8  1  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
M  CHG  4   2   1   7  -1   9   1  12  -1
M  END
> <DATABASE_ID>
T3D1330

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/2CH2O3.2H2O.3Pb/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);2*1H2;;;/q;;;;3*+2/p-6

> <INCHI_KEY>
RYZCLUQMCYZBJQ-UHFFFAOYSA-H

> <FORMULA>
C2H2O8Pb3

> <MOLECULAR_WEIGHT>
775.6

> <EXACT_MASS>
777.90487459

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
5.471618672717254

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
plumbanediol diplumbyliumyl carbonate

> <JCHEM_LOGP>
0.5669

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.273002354854021

> <JCHEM_POLAR_SURFACE_AREA>
49.36

> <JCHEM_REFRACTIVITY>
19.407700000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
plumbanediol diplumbyliumyl carbonate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1330

> <NAME>
Basic lead carbonate

> <CAS>
1319-46-6

> <SYNONYMS>
Basic lead carbonic acid; Berlin white; Ceruse; Cerussa; Flake lead; Lead carbonate hydroxide; Lead hydroxide carbonate; Lead subcarbonate; Plumbum carbonicum; Silver white; Trilead bis(carbonate) dihydroxide; White lead; White lead, hydrocerussite

> <TYPES>
Inorganic Compound; Lead Compound; Industrial/Workplace Toxin; Natural Compound

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