Molecule

ID:42170

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NO₄
Molecular Mass
283.27872
Exact Mass
283.0844579
Charge
0
InChI
InChI=1S/C16H13NO4/c1-10(18)11-5-4-6-12(9-11)17-15(19)13-7-2-3-8-14(13)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChIKey
FBFFSUCSLKYKLH-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccc(c1)NC(=O)c1ccccc1C(=O)O
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(C(=O)C)ccc1
Calculated Properties
JChem
Acid pKa
2.9102945
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.26323393
LogD (pH = 7.4)
-1.2040848
Log P
2.280361
Molar Refractivity
79.2505
Polarizability
29.013908
Polar Surface Area
83.47
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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