Molecule

ID:75287

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₂
Molecular Mass
241.2851
Exact Mass
241.11027873
Charge
0
InChI
InChI=1S/C15H15NO2/c1-2-18-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKey
HKTSLDUAGCAISP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)N(c1ccccc1)c1ccccc1
Isomeric Smiles
N(c1ccccc1)(c1ccccc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7090797
LogD (pH = 7.4)
3.7090797
Log P
3.7090797
Molar Refractivity
70.1867
Polarizability
27.319254
Polar Surface Area
29.54
Rotatable Bonds
4
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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