Molecule

ID:91218

General Information
Structure
MolImage
Molecular Formula
C₆H₄ClHgNaO₃S
Molecular Mass
415.19193
Exact Mass
415.91737995
Charge
0
InChI
InChI=1S/C6H5O3S.ClH.Hg.Na/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H,7,8,9);1H;;/q;;2*+1/p-2
InChIKey
BPDSRKSETVILKT-UHFFFAOYSA-L
Canonic Smiles
Cl[Hg]c1ccc(cc1)S(=O)(=O)[O-].[Na+]
Isomeric Smiles
[Hg](c1ccc(cc1)S(=O)(=O)[O-])Cl.[Na+]
Calculated Properties
JChem
Acid pKa
-2.639558
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.9252994
LogD (pH = 7.4)
-1.9253
Log P
0.3385
Molar Refractivity
41.1114
Polarizability
24.332457
Polar Surface Area
57.2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation