Molecule

ID:91627

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-9(14)13-11-6-4-10(5-7-11)12-3-2-8-15-12/h2-8H,1H3,(H,13,14)
InChIKey
YOUVSHSXXFRORJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)c1ccco1
Isomeric Smiles
o1c(ccc1)c1ccc(cc1)NC(=O)C
Calculated Properties
JChem
Acid pKa
13.999361
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9184282
LogD (pH = 7.4)
1.9184281
Log P
1.9184282
Molar Refractivity
58.4481
Polarizability
23.031893
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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