Molecule

ID:69317

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₉NO₂
Molecular Mass
329.39176
Exact Mass
329.14157885
Charge
0
InChI
InChI=1S/C22H19NO2/c24-21(25-17-18-10-4-1-5-11-18)16-23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKey
KFNIDRLZPBRDNJ-UHFFFAOYSA-N
Canonic Smiles
O=C(C/N=C(\c1ccccc1)/c1ccccc1)OCc1ccccc1
Isomeric Smiles
C(=O)(C/N=C(\c1ccccc1)/c1ccccc1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0115123
LogD (pH = 7.4)
5.017214
Log P
5.017287
Molar Refractivity
99.0536
Polarizability
38.384815
Polar Surface Area
38.66
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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