Molecule

ID:53049

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)/b10-9-
InChIKey
BOWVQLFMWHZBEF-KTKRTIGZSA-N
Canonic Smiles
CCCCCCCC/C=C\CCCCCCCC(=O)NCCO
Isomeric Smiles
C(=C\CCCCCCCC)\CCCCCCCC(=O)NCCO
Calculated Properties
JChem
LogD (pH = 7.4)
5.51
LogD (pH = 5.5)
5.51
Log P
5.51
Rotatable Bonds
17
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
15.47
Polar Surface Area
49.33
Polarizability
42.64
Molar Refractivity
100.41
LOG S
-7.36
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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