Molecule

ID:110820

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₉NO₂
Molecular Mass
325.52916
Exact Mass
325.29807949
Charge
0
InChI
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)
InChIKey
BOWVQLFMWHZBEF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)NCCO
Isomeric Smiles
CCCCCCCC/C=C/CCCCCCCC(=O)NCCO
Calculated Properties
JChem
Acid pKa
15.469626
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.5104294
LogD (pH = 7.4)
5.51043
Log P
5.51043
Molar Refractivity
100.4134
Polarizability
39.165314
Polar Surface Area
49.33
Rotatable Bonds
17
Lipinski's Rule of Five
false
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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