Molecule

ID:111844

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₂
Molecular Mass
239.26922
Exact Mass
239.09462866
Charge
0
InChI
InChI=1S/C15H13NO2/c17-14(12-7-3-1-4-8-12)11-16-15(18)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
InChIKey
MIJZKZQWQXKSPA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CNC(=O)c1ccccc1
Isomeric Smiles
O=C(CNC(=O)c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.953088
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2797844
LogD (pH = 7.4)
2.2797844
Log P
2.2797844
Molar Refractivity
69.9348
Polarizability
26.48829
Polar Surface Area
46.17
Rotatable Bonds
4
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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