Molecule

ID:24422

General Information
Structure
MolImage
Molecular Formula
C₂₀H₄₂N₂O
Molecular Mass
326.56028
Exact Mass
326.32971397
Charge
0
InChI
InChI=1S/C20H42N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20(23)21-2/h22H,3-19H2,1-2H3,(H,21,23)
InChIKey
NAXWZCDEZZAOBH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCCC(=O)NC
Isomeric Smiles
C(=O)(CCNCCCCCCCCCCCCCCCC)NC
Calculated Properties
JChem
Acid pKa
16.376833
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3858745
LogD (pH = 7.4)
3.183277
Log P
5.597574
Molar Refractivity
101.2819
Polarizability
40.332245
Polar Surface Area
41.13
Rotatable Bonds
18
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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