Molecule

ID:14669

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₃
Molecular Mass
269.2952
Exact Mass
269.10519335
Charge
0
InChI
InChI=1S/C16H15NO3/c1-11(16(19)20)17-15(18)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,17,18)(H,19,20)
InChIKey
BPAJFJUFJGPGJS-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)NC(=O)c1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)ccc(cc1)C(=O)NC(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.7558582
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.99669117
LogD (pH = 7.4)
-0.5405668
Log P
2.7415352
Molar Refractivity
75.7478
Polarizability
30.139647
Polar Surface Area
66.4
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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