Molecule

ID:21155

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-16-13-3-2-4-14(11-13)17-10-7-12-5-8-15-9-6-12/h2-4,11-12,15H,5-10H2,1H3
InChIKey
XZFAAABNZXFVTF-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OCCC1CCNCC1
Isomeric Smiles
N1CCC(CCOc2cc(OC)ccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1027086
LogD (pH = 7.4)
-0.6463186
Log P
2.1288772
Molar Refractivity
68.6368
Polarizability
27.214481
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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