Molecule

ID:134458

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₁NS
Molecular Mass
351.63264
Exact Mass
351.29597132
Charge
0
InChI
InChI=1S/C16H36N.C6H6S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-6-4-2-1-3-5-6/h5-16H2,1-4H3;1-5,7H/q+1;/p-1
InChIKey
DCYKVBXIMAFNDD-UHFFFAOYSA-M
Canonic Smiles
[S-]c1ccccc1.CCCC[N+](CCCC)(CCCC)CCCC
Isomeric Smiles
CCCC[N+](CCCC)(CCCC)CCCC.c1ccc(cc1)[S-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.3234289
LogD (pH = 7.4)
1.3234289
Log P
1.3234289
Molar Refractivity
91.3961
Polarizability
31.734425
Polar Surface Area
0.0
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation