Molecule

ID:134499

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₄N₂S
Molecular Mass
356.65246
Exact Mass
356.32252042
Charge
0
InChI
InChI=1S/C20H44N.CHNS/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;2-1-3/h5-20H2,1-4H3;3H/q+1;/p-1
InChIKey
JCEZNVYYPIYZPZ-UHFFFAOYSA-M
Canonic Smiles
CCCCC[N+](CCCCC)(CCCCC)CCCCC.[S-]C#N
Isomeric Smiles
CCCCC[N+](CCCCC)(CCCCC)CCCCC.C(#N)[S-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1017036
LogD (pH = 7.4)
3.1017036
Log P
3.1017036
Molar Refractivity
109.8001
Polarizability
39.122406
Polar Surface Area
0.0
Rotatable Bonds
16
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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