Molecule

ID:11176

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₄
Molecular Mass
259.25732
Exact Mass
259.0844579
Charge
0
InChI
InChI=1S/C14H13NO4/c16-13(17)9-11(10-5-2-1-3-6-10)15-14(18)12-7-4-8-19-12/h1-8,11H,9H2,(H,15,18)(H,16,17)
InChIKey
MMPXOXNLAORIRR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccccc1)NC(=O)c1ccco1
Isomeric Smiles
c1cc(oc1)C(=O)NC(CC(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
4.334939
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.4151303
LogD (pH = 7.4)
-1.3302373
Log P
1.607045
Molar Refractivity
67.4908
Polarizability
25.709179
Polar Surface Area
79.54
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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