Molecule

ID:111217

General Information
Structure
MolImage
Molecular Formula
C₄CrKN₄S₄
Molecular Mass
323.424
Exact Mass
322.8047942
Charge
0
InChI
InChI=1S/4CHNS.Cr.K/c4*2-1-3;;/h4*3H;;/q;;;;+3;+1/p-4
InChIKey
MIHNAZCTSQQNCV-UHFFFAOYSA-J
Canonic Smiles
[S-]C#N.[S-]C#N.[S-]C#N.[S-]C#N.[K+].[Cr+3]
Isomeric Smiles
[K+].[Cr+3].[S-]C#N.[S-]C#N.[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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation