Molecule

ID:83246

General Information
Structure
Molecular Formula
C₁₅H₁₃NO₂
Molecular Mass
239.26922
Exact Mass
239.09462866
Charge
0
InChI
InChI=1S/C15H13NO2/c1-17-14-8-5-9-15(13(14)10-16)18-11-12-6-3-2-4-7-12/h2-9H,11H2,1H3
InChIKey
IQODCSAPOJQTCB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(cccc1OC)OCc1ccccc1
Isomeric Smiles
N#Cc1c(cccc1OCc1ccccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2384727
LogD (pH = 7.4)
3.2384727
Log P
3.2384727
Molar Refractivity
69.3186
Polarizability
26.790962
Polar Surface Area
42.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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References
Bioactivity
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