Molecule

ID:74596

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₄
Molecular Mass
284.26678
Exact Mass
284.07970687
Charge
0
InChI
InChI=1S/C15H12N2O4/c1-9(18)10-4-6-11(7-5-10)17-14(19)12-3-2-8-16-13(12)15(20)21/h2-8H,1H3,(H,17,19)(H,20,21)
InChIKey
VQZBMQVKGKMEKR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(cc1)NC(=O)c1cccnc1C(=O)O
Isomeric Smiles
N(c1ccc(cc1)C(=O)C)C(=O)c1cccnc1C(=O)O
Calculated Properties
JChem
Acid pKa
0.3925366
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.74319977
LogD (pH = 7.4)
-1.9731238
Log P
0.3595879
Molar Refractivity
76.7216
Polarizability
28.155937
Polar Surface Area
96.36
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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