Molecule

ID:111988

General Information
Structure
MolImage
Molecular Formula
H₈MgN₂O₈S₂
Molecular Mass
252.50712
Exact Mass
251.95724893
Charge
0
InChI
InChI=1S/Mg.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2
InChIKey
DCNGHDHEMTUKNP-UHFFFAOYSA-L
Canonic Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[NH4+].[NH4+].[Mg+2]
Isomeric Smiles
[NH4+].[NH4+].[Mg+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
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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