Molecule

ID:126632

General Information
Structure
MolImage
Molecular Formula
C₂₁H₃₇ClN+
Molecular Mass
338.97818
Exact Mass
338.26145287
Charge
1
InChI
InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1
InChIKey
WPSYTTKBGAZSCX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC[N+](CCCCc1ccc(cc1)Cl)(CC)CC
Isomeric Smiles
Clc1ccc(cc1)CCCC[N+](CC)(CC)CCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.90537
LogD (pH = 7.4)
2.90537
Log P
2.90537
Molar Refractivity
116.4499
Polarizability
41.23656
Polar Surface Area
0.0
Rotatable Bonds
13
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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