Molecule

ID:28836

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁NO
Molecular Mass
303.39754
Exact Mass
303.1623143
Charge
0
InChI
InChI=1S/C21H21NO/c1-2-23-21-14-12-20(13-15-21)22-16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15,22H,2,16H2,1H3
InChIKey
DRPNVIZDGIYAOP-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)ccc(CNc2ccc(cc2)OCC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9101553
LogD (pH = 7.4)
5.015338
Log P
5.016859
Molar Refractivity
97.2124
Polarizability
38.364067
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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