Molecule

ID:111733

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₅NO
Molecular Mass
339.5988
Exact Mass
339.35011507
Charge
0
InChI
InChI=1S/C22H45NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H2,23,24)
InChIKey
ORAWFNKFUWGRJG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)N
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCC(=O)N
Calculated Properties
JChem
Acid pKa
16.88392
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
8.117052
LogD (pH = 7.4)
8.117052
Log P
8.117052
Molar Refractivity
106.5118
Polarizability
42.50309
Polar Surface Area
43.09
Rotatable Bonds
20
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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