Molecule

ID:21141

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-16-13-4-6-14(7-5-13)17-10-8-12-3-2-9-15-11-12/h4-7,12,15H,2-3,8-11H2,1H3
InChIKey
VTLNTXWIDXQCCK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCCC1CCCNC1
Isomeric Smiles
N1CC(CCOc2ccc(cc2)OC)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0274912
LogD (pH = 7.4)
-0.6514412
Log P
2.206831
Molar Refractivity
68.5598
Polarizability
27.21353
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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