Molecule

ID:76943

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₂
Molecular Mass
239.26922
Exact Mass
239.09462866
Charge
0
InChI
InChI=1S/C15H13NO2/c1-2-18-15(17)12-9-13-8-7-11-5-3-4-6-14(11)16(13)10-12/h3-10H,2H2,1H3
InChIKey
QJEYZIIXKJLBIY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(c1)ccc1c2cccc1
Isomeric Smiles
n12c(cc(c1)C(=O)OCC)ccc1ccccc21
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9889226
LogD (pH = 7.4)
2.9889226
Log P
2.9889226
Molar Refractivity
71.2423
Polarizability
28.675266
Polar Surface Area
30.71
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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