Molecule

ID:64287

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀CuO₂P
Molecular Mass
280.726361
Exact Mass
279.97143869
Charge
0
InChI
InChI=1S/C12H11O2P.Cu/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,14);/q;+1/p-1
InChIKey
SVIKVYNAINDOJS-UHFFFAOYSA-M
Canonic Smiles
[O-]P(=O)(c1ccccc1)c1ccccc1.[Cu+]
Isomeric Smiles
P(=O)([O-])(c1ccccc1)c1ccccc1.[Cu+]
Calculated Properties
JChem
Acid pKa
2.6572175
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.45400137
LogD (pH = 7.4)
0.3544312
Log P
2.6168
Molar Refractivity
59.0344
Polarizability
23.509384
Polar Surface Area
40.13
Rotatable Bonds
2
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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