Molecule

ID:111981

General Information
Structure
MolImage
Molecular Formula
C₃₆H₇₀O₆Pb
Molecular Mass
806.1374
Exact Mass
806.49389196
Charge
0
InChI
InChI=1S/2C18H36O3.Pb/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2
InChIKey
OZHGKMQTUUYMRS-UHFFFAOYSA-L
Canonic Smiles
CCCCCCC(CCCCCCCCCCC(=O)[O-])O.CCCCCCC(CCCCCCCCCCC(=O)[O-])O.[Pb+2]
Isomeric Smiles
[Pb+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.103196
LogD (pH = 7.4)
3.3440611
Log P
5.7590017
Molar Refractivity
98.7922
Polarizability
34.90064
Polar Surface Area
60.36
Rotatable Bonds
32
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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