Molecule

ID:112441

General Information
Structure
MolImage
Molecular Formula
C₂CdN₂S₂
Molecular Mass
228.5758
Exact Mass
229.85364801
Charge
0
InChI
InChI=1S/2CHNS.Cd/c2*2-1-3;/h2*3H;/q;;+2/p-2
InChIKey
TZXPSFJFFMFFNL-UHFFFAOYSA-L
Canonic Smiles
[S-]C#N.[S-]C#N.[Cd+2]
Isomeric Smiles
[Cd+2].[S-]C#N.[S-]C#N
Calculated Properties
JChem
Acid pKa
0.49709612
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.6371734
LogD (pH = 7.4)
-0.63722837
Log P
0.5057529
Molar Refractivity
16.0894
Polarizability
5.888356
Polar Surface Area
23.79
Rotatable Bonds
0
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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