Mrv0541 02241204562D          

  9  8  0  0  0  0            999 V2000
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
T3D0319

> <DATABASE_NAME>
t3db

> <SMILES>
CC(=O)O[Pb]OCC=O

> <INCHI_IDENTIFIER>
InChI=1S/C2H4O2.C2H3O2.Pb/c1-2(3)4;3-1-2-4;/h1H3,(H,3,4);1H,2H2;/q;-1;+2/p-1

> <INCHI_KEY>
FOTVYAJHHREIKV-UHFFFAOYSA-M

> <FORMULA>
C4H6O4Pb

> <MOLECULAR_WEIGHT>
325.3

> <EXACT_MASS>
326.00324453

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
12.434550546760079

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2-oxoethoxy)plumbyl acetate

> <ALOGPS_LOGP>
-0.54

> <JCHEM_LOGP>
-0.7050000000000001

> <ALOGPS_LOGS>
-0.59

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.615061577157618

> <JCHEM_PKA_STRONGEST_BASIC>
-4.611621637830342

> <JCHEM_POLAR_SURFACE_AREA>
52.6

> <JCHEM_REFRACTIVITY>
23.922200000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.44e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2-oxoethoxy)plumbyl acetate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0319

> <NAME>
Lead acetate

> <CAS>
301-04-2

> <SYNONYMS>
Acetic acid lead(2+) salt; Dibasic lead acetate; Lead acetate (acn); Lead acetate (anhydrous); Lead acetate (Pb(Ac)2); Lead acetate (Pb(O2C2H3)2); Lead acetate (Pb(OAc)2); Lead acetate, hydrate; Lead acetic acid; Lead di(acetate); Lead diacetate; Lead dibasic acetate; Lead(2+) acetate; Lead(2+) diacetate; Lead(II) acetate; Neutral lead acetate; Normal lead acetate; Plumbous acetate; Salt of saturn; Sugar of lead

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

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