Molecule

ID:30162

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-11(2)7-15-8-14-16-9-12-5-3-4-6-13(12)10-17-14/h3-6,11,14-15H,7-10H2,1-2H3
InChIKey
ZEKYUNSJZVNFLX-UHFFFAOYSA-N
Canonic Smiles
CC(CNCC1OCc2c(CO1)cccc2)C
Isomeric Smiles
O1C(OCc2c(C1)cccc2)CNCC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.38394806
LogD (pH = 7.4)
0.8415307
Log P
2.7590523
Molar Refractivity
68.4294
Polarizability
27.235168
Polar Surface Area
30.49
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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