Molecule

ID:135881

General Information
Structure
MolImage
Molecular Formula
C₆H₆FeK₄N₆O₃
Molecular Mass
428.34436903
Exact Mass
427.86003133
Charge
0
InChI
InChI=1S/6CN.Fe.4K.3H2O/c6*1-2;;;;;;;;/h;;;;;;;;;;;3*1H2/q;;;;;;-4;4*+1;;;/i6*1+1;;;;;;;;
InChIKey
NRYOVBQTVIWDNU-NSNQEQAISA-N
Canonic Smiles
N#[13C][Fe-4]([13C]#N)([13C]#N)([13C]#N)([13C]#N)[13C]#N.O.O.O.[K+].[K+].[K+].[K+]
Isomeric Smiles
[13C](#N)[Fe-4]([13C]#N)([13C]#N)([13C]#N)([13C]#N)[13C]#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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