Molecule

ID:3816

General Information
Structure
MolImage
Molecular Formula
C₆H₇HgN₂O₂S
Molecular Mass
371.78698
Exact Mass
372.99346647
Charge
0
InChI
InChI=1S/C6H7N2O2S.Hg/c7-5-1-3-6(4-2-5)11(8,9)10;/h1,3-4H,7H2,(H2,8,9,10);
InChIKey
KGGLGSZFQPTPPT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1[Hg])S(=O)(=O)N
Isomeric Smiles
Nc1ccc(cc1[Hg])S(=O)(=O)N
Calculated Properties
JChem
Acid pKa
11.056621
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2482264
LogD (pH = 7.4)
-1.2478942
Log P
-1.2478
Molar Refractivity
42.3326
Polarizability
23.901613
Polar Surface Area
86.18
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.5
LOG S
-1.81
Solubility (Water)
5.75e+00 g/l
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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