Molecule

ID:110484

General Information
Structure
Molecular Formula
C₃₂H₆₂O₄Pb
Molecular Mass
718.03228
Exact Mass
718.44146246
Charge
0
InChI
InChI=1S/2C16H32O2.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
InChIKey
QZWHQSRWOYUNFT-UHFFFAOYSA-L
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Pb+2]
Isomeric Smiles
[Pb+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.600777
LogD (pH = 7.4)
3.8416421
Log P
6.2565827
Molar Refractivity
87.9207
Polarizability
30.60571
Polar Surface Area
40.13
Rotatable Bonds
28
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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