Molecule

ID:10893

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃NO₄
Molecular Mass
259.25732
Exact Mass
259.0844579
Charge
0
InChI
InChI=1S/C14H13NO4/c1-9-6-7-19-13(9)14(18)15-11-4-2-10(3-5-11)8-12(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKey
VERAUCCGLBLTGA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)NC(=O)c1occc1C
Isomeric Smiles
c1c(c(oc1)C(=O)Nc1ccc(cc1)CC(=O)O)C
Calculated Properties
JChem
Acid pKa
4.071801
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.83586466
LogD (pH = 7.4)
-0.8400488
Log P
2.276547
Molar Refractivity
70.3312
Polarizability
25.80837
Polar Surface Area
79.54
Rotatable Bonds
4
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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