Molecule

ID:73337

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₂
Molecular Mass
191.22642
Exact Mass
191.09462866
Charge
0
InChI
InChI=1S/C11H13NO2/c1-7-6-10(12-9(3)14)4-5-11(7)8(2)13/h4-6H,1-3H3,(H,12,14)
InChIKey
PTARWPNYVATTDE-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(c(c1)C)C(=O)C
Isomeric Smiles
N(c1cc(c(cc1)C(=O)C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
13.813739
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2820251
LogD (pH = 7.4)
1.282025
Log P
1.2820251
Molar Refractivity
56.365
Polarizability
20.705751
Polar Surface Area
46.17
Rotatable Bonds
2
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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