Molecule

ID:111617

General Information
Structure
MolImage
Molecular Formula
C₃₆H₇₀O₄Zn
Molecular Mass
632.3186
Exact Mass
630.45655272
Charge
0
InChI
InChI=1S/2C18H36O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
InChIKey
XOOUIPVCVHRTMJ-UHFFFAOYSA-L
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
Isomeric Smiles
[Zn+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
Calculated Properties
JChem
Acid pKa
4.9520197
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4899144
LogD (pH = 7.4)
4.7307796
Log P
7.14572
Molar Refractivity
97.1227
Polarizability
34.295197
Polar Surface Area
40.13
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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