Molecule

ID:130854

General Information
Structure
MolImage
Molecular Formula
C₆H₆FeK₄N₆O₃
Molecular Mass
422.38844
Exact Mass
421.8399023
Charge
0
InChI
InChI=1S/6CN.Fe.4K.3H2O/c6*1-2;;;;;;;;/h;;;;;;;;;;;3*1H2/q;;;;;;-4;4*+1;;;
InChIKey
NRYOVBQTVIWDNU-UHFFFAOYSA-N
Canonic Smiles
N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[K+].[K+].[K+].[K+]
Isomeric Smiles
C(#N)[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[K+].[K+].[K+].[K+]
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-0.2594
LogD (pH = 7.4)
-0.2594
Log P
-0.2594
Molar Refractivity
39.9336
Polarizability
15.723072
Polar Surface Area
142.74
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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