Molecule

ID:11248

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO₄
Molecular Mass
245.23074
Exact Mass
245.06880784
Charge
0
InChI
InChI=1S/C13H11NO4/c1-8-5-6-11(18-8)12(15)14-10-4-2-3-9(7-10)13(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKey
UOIAQNBEHLQRMG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)C(=O)Nc1cccc(c1)C(=O)O
Isomeric Smiles
c1(C(=O)Nc2cc(C(=O)O)ccc2)oc(cc1)C
Calculated Properties
JChem
Acid pKa
3.9179945
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.39416736
LogD (pH = 7.4)
-1.2216822
Log P
1.9825215
Molar Refractivity
66.3883
Polarizability
23.955585
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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