Molecule

ID:24335

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₃NO₂
Molecular Mass
341.57162
Exact Mass
341.32937962
Charge
0
InChI
InChI=1S/C21H43NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21(23)24-4-2/h22H,3-20H2,1-2H3
InChIKey
QBANCYONYOPMOT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCCC(=O)OCC
Isomeric Smiles
C(=O)(CCNCCCCCCCCCCCCCCCC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4750018
LogD (pH = 7.4)
4.3073964
Log P
6.6835427
Molar Refractivity
104.0807
Polarizability
41.721916
Polar Surface Area
38.33
Rotatable Bonds
20
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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