Molecule

ID:57470

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₃
Molecular Mass
269.2952
Exact Mass
269.10519335
Charge
0
InChI
InChI=1S/C16H15NO3/c18-11-14-8-4-5-9-15(14)20-12-16(19)17-10-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H,17,19)
InChIKey
MLMGOHZLXNKQSI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OCC(=O)NCc1ccccc1
Isomeric Smiles
c1cccc(c1OCC(=O)NCc1ccccc1)C=O
Calculated Properties
JChem
Acid pKa
14.0054245
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1472669
LogD (pH = 7.4)
2.1472666
Log P
2.1472669
Molar Refractivity
76.5213
Polarizability
29.222988
Polar Surface Area
55.4
Rotatable Bonds
6
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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