Molecule

ID:109097

General Information
Structure
MolImage
Molecular Formula
C₂₅H₄₆ClN
Molecular Mass
396.09244
Exact Mass
395.33187816
Charge
0
InChI
InChI=1S/C25H46N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-24(2)26(3,4)23-25-21-18-16-19-22-25;/h16,18-19,21-22,24H,5-15,17,20,23H2,1-4H3;1H/q+1;/p-1
InChIKey
DTIJUCDWVWSCHZ-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCCC([N+](Cc1ccccc1)(C)C)C.[Cl-]
Isomeric Smiles
[Cl-].CCCCCCCCCCCCCCC(C)[N+](C)(C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
18.779453
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.383035
LogD (pH = 7.4)
4.383035
Log P
4.383035
Molar Refractivity
129.4177
Polarizability
46.90895
Polar Surface Area
0.0
Rotatable Bonds
16
Lipinski's Rule of Five
true
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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