Molecule

ID:112799

General Information
Structure
MolImage
Molecular Formula
FeNaO₇P₂
Molecular Mass
252.778092
Exact Mass
252.83663238
Charge
0
InChI
InChI=1S/Fe.Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q+3;+1;/p-4
InChIKey
XWQGIDJIEPIQBD-UHFFFAOYSA-J
Canonic Smiles
[O-]P(=O)(OP(=O)([O-])[O-])[O-].[Na+].[Fe+3]
Isomeric Smiles
[Na+].[Fe+3].[O-]P(=O)([O-])OP(=O)([O-])[O-]
Calculated Properties
JChem
Acid pKa
1.7026764
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-5.945248
LogD (pH = 7.4)
-6.9029593
Log P
-1.4419023
Molar Refractivity
21.038
Polarizability
10.301113
Polar Surface Area
135.61
Rotatable Bonds
2
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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