Molecule

ID:91743

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c1-9-3-8-13(16-9)11-4-6-12(7-5-11)14-10(2)15/h3-8H,1-2H3,(H,14,15)
InChIKey
PLSUIKCRJUAWAV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)c1ccc(o1)C
Isomeric Smiles
o1c(ccc1C)c1ccc(cc1)NC(=O)C
Calculated Properties
JChem
Acid pKa
14.013975
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1179895
LogD (pH = 7.4)
2.1179893
Log P
2.1179895
Molar Refractivity
63.5978
Polarizability
24.79718
Polar Surface Area
42.24
Rotatable Bonds
2
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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