Mrv0541 02241205172D          

  7  7  0  0  0  0            999 V2000
    2.0198    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D1323

> <DATABASE_NAME>
t3db

> <SMILES>
O=C1O[Pb]OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H2O4.Pb/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2

> <INCHI_KEY>
FCHAMWMIYDDXFS-UHFFFAOYSA-L

> <FORMULA>
C2O4Pb

> <MOLECULAR_WEIGHT>
295.2

> <EXACT_MASS>
295.956294338

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
7.42228861419296

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-dioxa-2-plumbacyclopentane-4,5-dione

> <ALOGPS_LOGP>
-0.49

> <JCHEM_LOGP>
1.4114

> <ALOGPS_LOGS>
-0.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.695418385600661

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
12.583400000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.59e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lead oxalate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D1323

> <NAME>
Lead oxalate

> <CAS>
814-93-7

> <SYNONYMS>
Ethanedioic acid, lead(2+) salt (1:1); Lead oxalic acid

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

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