Molecule

ID:136392

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₃
Molecular Mass
241.32662
Exact Mass
241.1677936
Charge
0
InChI
InChI=1S/C13H23NO3/c1-2-17-12(15)8-13(9-16-10-13)14-11-6-4-3-5-7-11/h11,14H,2-10H2,1H3
InChIKey
NMBMYHYPJJZHJR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(COC1)NC1CCCCC1
Isomeric Smiles
CCOC(=O)CC1(COC1)NC1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0580274
LogD (pH = 7.4)
0.6629075
Log P
1.5891254
Molar Refractivity
64.6436
Polarizability
26.208767
Polar Surface Area
47.56
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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