Mrv0541 02241204212D          

  6  4  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
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  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
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
M  CHG  3   1   2   2  -1   4  -1
M  END
> <DATABASE_ID>
T3D0335

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/H2O4S.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2

> <INCHI_KEY>
KEQXNNJHMWSZHK-UHFFFAOYSA-L

> <FORMULA>
O4PbS

> <MOLECULAR_WEIGHT>
303.3

> <EXACT_MASS>
303.928365028

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.805291890677037

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_LOGP>
-0.8415520233333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
1.8964254257138706

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.034349054191991

> <JCHEM_POLAR_SURFACE_AREA>
80.25999999999999

> <JCHEM_REFRACTIVITY>
11.5274

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

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

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0335

> <NAME>
Lead sulfate

> <CAS>
7446-14-2

> <SYNONYMS>
C.I. Pigment white 3; CI pigment white 3; Freemans white lead; Haro chem PTS-e; Lead bottoms; Lead dross; Lead monosulfate; Lead sulfate, tetrabasic; Lead sulfic acid; Lead sulphate; Lead sulphic acid; Lead(+2) sulfate; Lead(II) sulfate; Pigment White 3; Sulfuric acid, lead salt, tetrabasic; Tetrabasic lead sulfate; Tribasic lead sulfate; TS 100 (sulfate)

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

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