Molecule

ID:52479

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-15-12(14)10-6-2-3-7-11(10)13-8-4-5-9-13/h2-9H,1H3
InChIKey
KUEYSLOCROREKF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1n1cccc1
Isomeric Smiles
n1(cccc1)c1c(cccc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9382415
LogD (pH = 7.4)
2.9382415
Log P
2.9382415
Molar Refractivity
67.8357
Polarizability
22.739462
Polar Surface Area
31.23
Rotatable Bonds
3
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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