Molecule

ID:128275

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇HgNO₆
Molecular Mass
483.86718
Exact Mass
485.07623027
Charge
0
InChI
InChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1
InChIKey
HQRSUIDICNOLPX-UHFFFAOYSA-M
Canonic Smiles
O[Hg]CC(CNC(=O)c1ccccc1OCC(=O)O)OC
Isomeric Smiles
O[Hg]CC(OC)CNC(=O)c1ccccc1OCC(=O)O
Calculated Properties
JChem
Acid pKa
3.243655
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
-2.9811451
LogD (pH = 7.4)
-4.294058
Log P
-0.7384
Molar Refractivity
69.7529
Polarizability
34.271244
Polar Surface Area
105.09
Rotatable Bonds
9
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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