Molecule

ID:8517

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrNO₂S₂
Molecular Mass
242.11406
Exact Mass
240.88668237
Charge
0
InChI
InChI=1S/C4H4BrNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
InChIKey
WXJQQLDICAOBJB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(s1)S(=O)(=O)N
Isomeric Smiles
c1cc(sc1S(=O)(=O)N)Br
Calculated Properties
JChem
Acid pKa
8.183829
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4596672
LogD (pH = 7.4)
1.4023948
Log P
1.4604632
Molar Refractivity
41.2643
Polarizability
17.528316
Polar Surface Area
60.16
Rotatable Bonds
1
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