Molecule

ID:52201

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃NO₃
Molecular Mass
279.29002
Exact Mass
279.08954328
Charge
0
InChI
InChI=1S/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3
InChIKey
CKLKGWHINGNHOK-UHFFFAOYSA-N
Canonic Smiles
CC(N1C(=O)c2c(C1=O)cccc2)C(=O)c1ccccc1
Isomeric Smiles
C(=O)(C(C)N1C(=O)c2c(C1=O)cccc2)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.768094
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7180858
LogD (pH = 7.4)
2.7180858
Log P
2.7180858
Molar Refractivity
78.6071
Polarizability
29.300137
Polar Surface Area
54.45
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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