Molecule

ID:87181

General Information
Structure
MolImage
Molecular Formula
C₂H₄BrNaO₃S
Molecular Mass
211.01013
Exact Mass
209.89622127
Charge
0
InChI
InChI=1S/C2H5BrO3S.Na/c3-1-2-7(4,5)6;/h1-2H2,(H,4,5,6);/q;+1/p-1
InChIKey
HNFOAHXBHLWKNF-UHFFFAOYSA-M
Canonic Smiles
BrCCS(=O)(=O)[O-].[Na+]
Isomeric Smiles
BrCCS(=O)(=O)[O-].[Na+]
Calculated Properties
JChem
Acid pKa
-1.6962752
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.3345914
LogD (pH = 7.4)
-2.334598
Log P
0.041800756
Molar Refractivity
27.8604
Polarizability
12.177099
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