Molecule

ID:126056

General Information
Structure
MolImage
Molecular Formula
C₂₅H₅₄ClN
Molecular Mass
404.15596
Exact Mass
403.39447841
Charge
0
InChI
InChI=1S/C25H54N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)4;/h5-25H2,1-4H3;1H/q+1;/p-1
InChIKey
YSJGOMATDFSEED-UHFFFAOYSA-M
Canonic Smiles
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
Isomeric Smiles
[Cl-].C(CCCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3539677
LogD (pH = 7.4)
5.3539677
Log P
5.3539677
Molar Refractivity
132.5933
Polarizability
48.35746
Polar Surface Area
0.0
Rotatable Bonds
21
Lipinski's Rule of Five
false
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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