Mrv0541 02241205582D          

  6  3  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
    3.3589    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9464    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3589   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  3  4  2  0  0  0  0
M  CHG  3   1   2   5  -1   6  -1
M  END
> <DATABASE_ID>
T3D1337

> <DATABASE_NAME>
t3db

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O2.H2O.Pb/c1-2(3)4;;/h1H3,(H,3,4);1H2;/q;;+2/p-2

> <INCHI_KEY>
YPXLMNXJJHZEFO-UHFFFAOYSA-L

> <FORMULA>
C2H4O3Pb

> <MOLECULAR_WEIGHT>
283.3

> <EXACT_MASS>
283.992679844

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.95594065153954

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-lead(2+) ion acetate hydroxide

> <ALOGPS_LOGP>
-0.74

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
-0.29

> <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

> <ALOGPS_SOLUBILITY>
1.46e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ²-lead(2+) ion acetate hydroxide

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1337

> <NAME>
Basic lead acetate

> <CAS>
51404-69-4

> <SYNONYMS>
Acetic acid, lead salt, basic; Basic lead acetic acid

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

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