Molecule

ID:38233

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₄
Molecular Mass
286.28266
Exact Mass
286.09535694
Charge
0
InChI
InChI=1S/C15H14N2O4/c18-13(16-8-11-4-2-1-3-5-11)10-17-9-12(15(20)21)6-7-14(17)19/h1-7,9H,8,10H2,(H,16,18)(H,20,21)
InChIKey
IUERQWHAXWLZOQ-UHFFFAOYSA-N
Canonic Smiles
O=C(Cn1cc(ccc1=O)C(=O)O)NCc1ccccc1
Isomeric Smiles
c1(cn(c(=O)cc1)CC(=O)NCc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3546119
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.8361282
LogD (pH = 7.4)
-3.1191661
Log P
0.2947817
Molar Refractivity
76.3573
Polarizability
28.659813
Polar Surface Area
86.71
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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