Mrv1572004221603512D          

 14  6  0  0  0  0            999 V2000
    0.7425   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3300    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4950    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2193    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8068   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2193   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9818   -0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5764    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    0.0000    0.0000 Pb  0  2  0  0  0  0  0  0  0  0  0  0
    4.1250   -2.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.0145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
M  CHG  3   4  -1   8  -1  12   2
M  END
> <DATABASE_ID>
CHEM017325

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/2C2H4O2.3H2O.Pb.2H/c2*1-2(3)4;;;;;;/h2*1H3,(H,3,4);3*1H2;;;/q;;;;;+2;;/p-2

> <INCHI_KEY>
YCFCGUGOMKHROF-UHFFFAOYSA-L

> <FORMULA>
C4H14O7Pb

> <MOLECULAR_WEIGHT>
381.3

> <EXACT_MASS>
382.050606

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
4.955916234550971

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
λ²-lead(2+) ion diacetate trihydrate

> <ALOGPS_LOGP>
-0.07

> <JCHEM_LOGP>
-0.2233457143333334

> <ALOGPS_LOGS>
-0.62

> <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>
7.80e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
λ²-lead(2+) ion diacetate trihydrate

> <JCHEM_VEBER_RULE>
0

> <NAME>
Lead(II) acetate trihydrate

> <CAS>
6080-56-4

> <SYNONYMS>
lead(2+) ion diacetate trihydrate

$$$$