Molecule

ID:126997

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₈ClN
Molecular Mass
362.07622
Exact Mass
361.34752822
Charge
0
InChI
InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
InChIKey
RUPBZQFQVRMKDG-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C.[Cl-]
Isomeric Smiles
[Cl-].C(CCCCC[N+](C)(CCCCCCCCCC)C)CCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0104547
LogD (pH = 7.4)
4.0104547
Log P
4.0104547
Molar Refractivity
118.8609
Polarizability
42.816418
Polar Surface Area
0.0
Rotatable Bonds
18
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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