Molecule

ID:128261

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇HgN₂O₆
Molecular Mass
449.83108
Exact Mass
451.07930427
Charge
0
InChI
InChI=1S/C9H15N2O5.Hg.H2O/c1-6(16-2)5-10-9(15)11-7(12)3-4-8(13)14;;/h6H,1,3-5H2,2H3,(H,13,14)(H2,10,11,12,15);;1H2
InChIKey
HXYLKKGRIDSMFL-UHFFFAOYSA-N
Canonic Smiles
COC(CNC(=O)NC(=O)CCC(=O)O)C[Hg].O
Isomeric Smiles
COC(CNC(=O)NC(=O)CCC(=O)O)C[Hg].O
Calculated Properties
JChem
Acid pKa
3.86125
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.9475927
LogD (pH = 7.4)
-4.6060925
Log P
-1.3029
Molar Refractivity
52.9955
Polarizability
28.367907
Polar Surface Area
104.73
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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