Molecule

ID:129240

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₃NO₂
Molecular Mass
321.41282
Exact Mass
321.17287898
Charge
0
InChI
InChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3
InChIKey
OZCYJKDWRUIFFE-UHFFFAOYSA-N
Canonic Smiles
CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC
Isomeric Smiles
CCCCCn1cc(c2c1cccc2)C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.3658333
LogD (pH = 7.4)
5.3658333
Log P
5.3658333
Molar Refractivity
97.5545
Polarizability
38.9024
Polar Surface Area
31.23
Rotatable Bonds
7
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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