Molecule

ID:21121

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-16-13-6-4-7-14(11-13)17-10-8-12-5-2-3-9-15-12/h4,6-7,11-12,15H,2-3,5,8-10H2,1H3
InChIKey
SDIKBKRUKSBVHG-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)OCCC1CCCCN1
Isomeric Smiles
N1C(CCOc2cc(OC)ccc2)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9619419
LogD (pH = 7.4)
-0.36903936
Log P
2.2635927
Molar Refractivity
68.3864
Polarizability
27.21448
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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