Molecule

ID:3834

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₈N+
Molecular Mass
326.62322
Exact Mass
326.37867554
Charge
1
InChI
InChI=1S/C22H48N/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/q+1
InChIKey
JGFDZZLUDWMUQH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCC[N+](CCCCCCCCCC)(C)C
Isomeric Smiles
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
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
ALOGPS 2.1
Log P
4.54
LOG S
-7.97
Solubility (Water)
3.91e-06 g/l
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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