Molecule

ID:102718

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀CrN₇S₄
Molecular Mass
336.4252
Exact Mass
335.92855986
Charge
0
InChI
InChI=1S/4CHNS.Cr.3H3N/c4*2-1-3;;;;/h4*3H;;3*1H3/q;;;;+3;;;/p-3
InChIKey
ZGLIQORZYPZFPW-UHFFFAOYSA-K
Canonic Smiles
N#CS[Cr-](SC#N)(SC#N)SC#N.N.N.[NH4+]
Isomeric Smiles
N.N.[NH4+].N#CS[Cr-](SC#N)(SC#N)SC#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2684
LogD (pH = 7.4)
1.2684
Log P
1.2684
Molar Refractivity
57.7964
Polarizability
23.591137
Polar Surface Area
95.16
Rotatable Bonds
4
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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