Molecule

ID:56141

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₃
Molecular Mass
269.2952
Exact Mass
269.10519335
Charge
0
InChI
InChI=1S/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)(H,19,20)
InChIKey
NPKISZUVEBESJI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1
Isomeric Smiles
OC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.50
LogD (pH = 5.5)
1.08
Log P
2.75
Rotatable Bonds
5
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
3.83
Polar Surface Area
66.40
Polarizability
28.42
Molar Refractivity
75.23
LOG S
-3.74
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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