Molecule

ID:11534

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂N₂O₂
Molecular Mass
264.27868
Exact Mass
264.08987763
Charge
0
InChI
InChI=1S/C16H12N2O2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,17H2,(H,19,20)
InChIKey
XYOZPCKKENHWOG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(cc(nc2c1cccc2)c1ccc(N)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8544438
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0684263
LogD (pH = 7.4)
-0.35907188
Log P
2.3040142
Molar Refractivity
76.7001
Polarizability
31.42296
Polar Surface Area
76.21
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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