Molecule

ID:18276

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-11-8-13-9-12(4-5-14(13)17-11)10-15-6-3-7-16-2/h4-5,9,11,15H,3,6-8,10H2,1-2H3
InChIKey
DXAVLEBTUDGOIZ-UHFFFAOYSA-N
Canonic Smiles
COCCCNCc1ccc2c(c1)CC(O2)C
Isomeric Smiles
O1c2c(CC1C)cc(cc2)CNCCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3468754
LogD (pH = 7.4)
-0.35724384
Log P
1.8433712
Molar Refractivity
69.4065
Polarizability
27.146132
Polar Surface Area
30.49
Rotatable Bonds
6
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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