Molecule

ID:111742

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₈CuO₄
Molecular Mass
430.08072
Exact Mass
429.2066072
Charge
0
InChI
InChI=1S/2C11H20O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*9-10H,2-8H2,1H3,(H,12,13);/q;;+2/p-2
InChIKey
BKACVSPFRDCXGK-UHFFFAOYSA-L
Canonic Smiles
CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-].[Cu+2]
Isomeric Smiles
[Cu+2].CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-]
Calculated Properties
JChem
Acid pKa
5.0255046
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4318533
LogD (pH = 7.4)
1.6846169
Log P
4.031563
Molar Refractivity
66.009
Polarizability
21.147709
Polar Surface Area
40.13
Rotatable Bonds
16
Lipinski's Rule of Five
true
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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