Molecule

ID:94638

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈CuF₆O₄
Molecular Mass
369.7045392
Exact Mass
368.96227556
Charge
0
InChI
InChI=1S/2C5H5F3O2.Cu/c2*1-3(9)2-4(10)5(6,7)8;/h2*2,10H,1H3;/q;;+2/p-2
InChIKey
GZVJAFMHAGQIEB-UHFFFAOYSA-L
Canonic Smiles
[O-]/C(=C\C(=O)C)/C(F)(F)F.[O-]/C(=C\C(=O)C)/C(F)(F)F.[Cu+2]
Isomeric Smiles
[O-]/C(=C\C(=O)C)/C(F)(F)F.[Cu+2].[O-]/C(=C\C(=O)C)/C(F)(F)F
Calculated Properties
JChem
Acid pKa
4.7207155
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.09748985
LogD (pH = 7.4)
-1.6800448
Log P
0.942788
Molar Refractivity
39.8911
Polarizability
9.87203
Polar Surface Area
40.13
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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