Molecule

ID:63752

General Information
Structure
MolImage
Molecular Formula
C₈H₇CuO₃
Molecular Mass
214.68538
Exact Mass
213.96911658
Charge
0
InChI
InChI=1S/C8H8O3.Cu/c1-5-3-2-4-6(7(5)9)8(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1
InChIKey
CPPQOSMKJDPRID-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)c1cccc(c1O)C.[Cu+]
Isomeric Smiles
c1(C(=O)[O-])c(c(ccc1)C)O.[Cu+]
Calculated Properties
JChem
Acid pKa
2.7957377
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.15390565
LogD (pH = 7.4)
-1.0036922
Log P
2.4906847
Molar Refractivity
51.1734
Polarizability
14.96527
Polar Surface Area
60.36
Rotatable Bonds
1
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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