Molecule

ID:103662

General Information
Structure
MolImage
Molecular Formula
C₆FeK₃N₆
Molecular Mass
329.2443
Exact Mass
328.84450157
Charge
0
InChI
InChI=1S/6CN.Fe.3K/c6*1-2;;;;/q;;;;;;-3;3*+1
InChIKey
MIMJFNVDBPUTPB-UHFFFAOYSA-N
Canonic Smiles
N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+]
Isomeric Smiles
[K+].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N
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
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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