Molecule

ID:30224

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₃
Molecular Mass
282.29396
Exact Mass
282.10044232
Charge
0
InChI
InChI=1S/C16H14N2O3/c17-11-7-5-10(6-8-11)14(19)9-16(21)12-3-1-2-4-13(12)18-15(16)20/h1-8,21H,9,17H2,(H,18,20)
InChIKey
KFRYAJUTOBAFDT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1cccc2
Isomeric Smiles
C1(C(=O)Nc2c1cccc2)(CC(=O)c1ccc(N)cc1)O
Calculated Properties
JChem
Acid pKa
11.438094
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.0722857
LogD (pH = 7.4)
1.0731086
Log P
1.0731587
Molar Refractivity
80.1893
Polarizability
29.566484
Polar Surface Area
92.42
Rotatable Bonds
3
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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