Molecule

ID:11175

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₄
Molecular Mass
259.25732
Exact Mass
259.0844579
Charge
0
InChI
InChI=1S/C14H13NO4/c16-13(12-7-4-8-19-12)15-11(14(17)18)9-10-5-2-1-3-6-10/h1-8,11H,9H2,(H,15,16)(H,17,18)
InChIKey
FRQFNSRFSXTHII-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC(=O)c1ccco1)Cc1ccccc1
Isomeric Smiles
c1cc(oc1)C(=O)NC(Cc1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9046142
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.20963459
LogD (pH = 7.4)
-1.4003186
Log P
1.8108827
Molar Refractivity
67.6215
Polarizability
25.711514
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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