Molecule

ID:28936

General Information
Structure
MolImage
Molecular Formula
C₂₆H₄₇NO₂
Molecular Mass
405.65688
Exact Mass
405.36067975
Charge
0
InChI
InChI=1S/C26H47NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27-24-25-17-19-26(20-18-25)29-23-22-28-2/h17-20,27H,3-16,21-24H2,1-2H3
InChIKey
SMHHDTPOICSDLU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCNCc1ccc(cc1)OCCOC
Isomeric Smiles
c1(ccc(cc1)CNCCCCCCCCCCCCCCCC)OCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.7774143
LogD (pH = 7.4)
5.612813
Log P
7.985671
Molar Refractivity
125.8983
Polarizability
50.109283
Polar Surface Area
30.49
Rotatable Bonds
21
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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