Molecule

ID:11039

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₄
Molecular Mass
245.23074
Exact Mass
245.06880784
Charge
0
InChI
InChI=1S/C13H11NO4/c1-8-6-7-18-11(8)12(15)14-10-5-3-2-4-9(10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKey
PRIZKRWQTVWBFL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1occc1C)Nc1ccccc1C(=O)O
Isomeric Smiles
c1ccc(c(c1)C(=O)O)NC(=O)c1c(cco1)C
Calculated Properties
JChem
Acid pKa
3.5464628
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.99942034
LogD (pH = 7.4)
-0.41472182
Log P
2.9463816
Molar Refractivity
66.2798
Polarizability
23.955708
Polar Surface Area
79.54
Rotatable Bonds
3
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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