Molecule

ID:91602

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂CuN₂O₂
Molecular Mass
351.84608
Exact Mass
351.01947513
Charge
0
InChI
InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
InChIKey
YXLXNENXOJSQEI-UHFFFAOYSA-L
Canonic Smiles
[O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2]
Isomeric Smiles
n1c2c(ccc1)cccc2[O-].[Cu+2].n1c2c(ccc1)cccc2[O-]
Calculated Properties
JChem
Acid pKa
9.357015
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8162123
LogD (pH = 7.4)
1.8223643
Log P
1.8273351
Molar Refractivity
52.5105
Polarizability
17.32436
Polar Surface Area
35.95
Rotatable Bonds
0
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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