Molecule

ID:125829

General Information
Structure
MolImage
Molecular Formula
FeH₄NO₈S₂
Molecular Mass
266.00866
Exact Mass
265.87277059
Charge
0
InChI
InChI=1S/Fe.H3N.2H2O4S/c;;2*1-5(2,3)4/h;1H3;2*(H2,1,2,3,4)/q+3;;;/p-3
InChIKey
XGGLLRJQCZROSE-UHFFFAOYSA-K
Canonic Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].[Fe+3]
Isomeric Smiles
[Fe+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+]
Calculated Properties
JChem
Acid pKa
-3.034349
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-5.569452
LogD (pH = 7.4)
-5.594027
Log P
-0.841552
Molar Refractivity
11.5274
Polarizability
6.037845
Polar Surface Area
80.26
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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