Molecule

ID:129086

General Information
Structure
MolImage
Molecular Formula
CKNS
Molecular Mass
97.1807
Exact Mass
96.93885169
Charge
0
InChI
InChI=1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1
InChIKey
ZNNZYHKDIALBAK-UHFFFAOYSA-M
Canonic Smiles
[S-]C#N.[K+]
Isomeric Smiles
C(#N)[S-].[K+]
Calculated Properties
JChem
LogD (pH = 7.4)
-0.64
LogD (pH = 5.5)
-0.64
Log P
0.51
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
0.50
Polar Surface Area
23.79
Polarizability
4.75
Molar Refractivity
16.09
LOG S
-0.34
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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