Molecule

ID:19456

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-16-13-8-7-11(10-14(13)17-2)12-6-4-3-5-9-15-12/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKey
YQAZQGANGIFJDU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1OC)C1CCCCCN1
Isomeric Smiles
c1(cc(c(cc1)OC)OC)C1NCCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.63469
LogD (pH = 7.4)
0.22727019
Log P
2.570954
Molar Refractivity
68.6456
Polarizability
27.210785
Polar Surface Area
30.49
Rotatable Bonds
3
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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