Molecule

ID:11068

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂O₃
Molecular Mass
256.25668
Exact Mass
256.08479225
Charge
0
InChI
InChI=1S/C14H12N2O3/c17-13(16-9-10-4-3-7-15-8-10)11-5-1-2-6-12(11)14(18)19/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey
QKTSHBZADBQZMY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1C(=O)NCc1cccnc1
Isomeric Smiles
c1(C(=O)NCc2cnccc2)c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.6334257
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.43221626
LogD (pH = 7.4)
-1.9846421
Log P
0.23844248
Molar Refractivity
69.745
Polarizability
26.041931
Polar Surface Area
79.29
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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