Molecule

ID:34281

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₄
Molecular Mass
298.29336
Exact Mass
298.09535694
Charge
0
InChI
InChI=1S/C16H14N2O4/c17-12-5-1-10(2-6-12)14(19)9-15(20)18-13-7-3-11(4-8-13)16(21)22/h1-8H,9,17H2,(H,18,20)(H,21,22)
InChIKey
LSUQUWMAMKUYBK-UHFFFAOYSA-N
Canonic Smiles
O=C(CC(=O)c1ccc(cc1)N)Nc1ccc(cc1)C(=O)O
Isomeric Smiles
c1(ccc(cc1)C(=O)CC(=O)Nc1ccc(cc1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
4.177347
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
0.3287455
LogD (pH = 7.4)
-1.3741617
Log P
1.453187
Molar Refractivity
83.0388
Polarizability
30.189575
Polar Surface Area
109.49
Rotatable Bonds
5
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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