Molecule

ID:112076

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₁NO₂
Molecular Mass
327.54504
Exact Mass
327.31372956
Charge
0
InChI
InChI=1S/C20H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h22H,2-19H2,1H3,(H,21,23)
InChIKey
OTGQIQQTPXJQRG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCC(=O)NCCO
Isomeric Smiles
CCCCCCCCCCCCCCCCCC(=O)NCCO
Calculated Properties
JChem
LogD (pH = 7.4)
5.87
LogD (pH = 5.5)
5.87
Log P
5.87
Rotatable Bonds
18
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
15.46
Polar Surface Area
49.33
Polarizability
44.23
Molar Refractivity
99.30
LOG S
-7.61
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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