Molecule

ID:127858

General Information
Structure
MolImage
Molecular Formula
C₄FeO₄++
Molecular Mass
167.8854
Exact Mass
167.91459598
Charge
2
InChI
InChI=1S/4CO.Fe/c4*1-2;/q;;;;+2
InChIKey
NQNJPGQBBBCLBY-UHFFFAOYSA-N
Canonic Smiles
[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe+2]
Isomeric Smiles
[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe+2]
Calculated Properties
JChem
Acid pKa
11.316423
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-3.9616644
LogD (pH = 7.4)
-3.9615731
Log P
-3.9616656
Molar Refractivity
26.2298
Polarizability
2.2798557
Polar Surface Area
0.0
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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