Molecule

ID:36231

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₉NO₂
Molecular Mass
329.39176
Exact Mass
329.14157885
Charge
0
InChI
InChI=1S/C22H19NO2/c23-20-11-9-19(10-12-20)22(24)15-8-17-6-13-21(14-7-17)25-16-18-4-2-1-3-5-18/h1-15H,16,23H2/b15-8+
InChIKey
GEAMLFKRRVLFPK-OVCLIPMQSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)OCc1ccccc1
Isomeric Smiles
C(=C\c1ccc(OCc2ccccc2)cc1)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.570223
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.6264477
LogD (pH = 7.4)
4.628179
Log P
4.628201
Molar Refractivity
102.6532
Polarizability
38.622055
Polar Surface Area
52.32
Rotatable Bonds
6
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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