Molecule

ID:110403

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₂
Molecular Mass
291.34378
Exact Mass
291.12592879
Charge
0
InChI
InChI=1S/C19H17NO2/c1-3-22-19(21)16-12-18(14-7-5-4-6-8-14)20-17-10-9-13(2)11-15(16)17/h4-12H,3H2,1-2H3
InChIKey
BUDBHJPMAKXMLD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nc2c1cc(C)cc2)c1ccccc1
Isomeric Smiles
CCOC(=O)c1cc(nc2c1cc(C)cc2)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.037394
LogD (pH = 7.4)
5.0376787
Log P
5.0376825
Molar Refractivity
86.5586
Polarizability
36.04863
Polar Surface Area
39.19
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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