Molecule

ID:20765

General Information
Structure
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-2-16-13-5-3-4-6-14(13)17-11-12-7-9-15-10-8-12/h3-6,12,15H,2,7-11H2,1H3
InChIKey
SJYKCLPHWGFPAS-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1OCC1CCNCC1
Isomeric Smiles
N1CCC(COc2c(OCC)cccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1123507
LogD (pH = 7.4)
-0.6515799
Log P
2.1190703
Molar Refractivity
68.7074
Polarizability
27.215847
Polar Surface Area
30.49
Rotatable Bonds
5
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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