Molecule

ID:112282

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂FeN₉
Molecular Mass
266.06478
Exact Mass
266.05650393
Charge
0
InChI
InChI=1S/6CN.Fe.3H3N/c6*1-2;;;;/h;;;;;;;3*1H3/q6*-1;+3;;;/p+3
InChIKey
YARHBRUWMYJLHY-UHFFFAOYSA-Q
Canonic Smiles
N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].N#[C-].[NH4+].[NH4+].[NH4+].[Fe+3]
Isomeric Smiles
[NH4+].[NH4+].[NH4+].[Fe+3].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N
Calculated Properties
JChem
Acid pKa
9.5
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.34610683
LogD (pH = 7.4)
-0.33904728
Log P
-0.34619832
Molar Refractivity
15.8149
Polarizability
2.6105857
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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