Molecule

ID:84661

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁NO₂
Molecular Mass
283.36484
Exact Mass
283.15722892
Charge
0
InChI
InChI=1S/C18H21NO2/c1-16(20)21-15-9-8-14-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3
InChIKey
NXOWSKAKAGDOBG-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCCCCN(c1ccccc1)c1ccccc1
Isomeric Smiles
N(c1ccccc1)(c1ccccc1)CCCCOC(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9650576
LogD (pH = 7.4)
3.9651918
Log P
3.9651935
Molar Refractivity
84.3947
Polarizability
32.889023
Polar Surface Area
29.54
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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