Molecule

ID:103050

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)/t14-/m0/s1
InChIKey
NPKISZUVEBESJI-AWEZNQCLSA-N
Canonic Smiles
OC(=O)[C@@H](NC(=O)c1ccccc1)Cc1ccccc1
Isomeric Smiles
OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.8295333
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0769546
LogD (pH = 7.4)
-0.49793655
Log P
2.750636
Molar Refractivity
75.2306
Polarizability
28.789158
Polar Surface Area
66.4
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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