Molecule

ID:105006

General Information
Structure
MolImage
Molecular Formula
FeH₁₈N₃O₁₈
Molecular Mass
403.99722
Exact Mass
403.99347325
Charge
0
InChI
InChI=1S/Fe.3NO3.9H2O/c;3*2-1(3)4;;;;;;;;;/h;;;;9*1H2/q+3;3*-1;;;;;;;;;
InChIKey
SZQUEWJRBJDHSM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].O.O.O.O.O.O.O.O.O.[Fe+3]
Isomeric Smiles
O.O.O.O.O.O.O.O.O.[Fe+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
-1.3999903
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8368004
LogD (pH = 7.4)
0.8368004
Log P
0.8368004
Molar Refractivity
8.3471
Polarizability
3.4222581
Polar Surface Area
66.2
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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