Molecule
ID:113423
General Information
Molecular Formula
C₄H₅BrO₂S
Molecular Mass
197.0503
Exact Mass
195.9193624
Charge
0
InChI
InChI=1S/C4H5BrO2S/c5-4-1-2-8(6,7)3-4/h1-2,4H,3H2
InChIKey
OFHNLUNDNLABJQ-UHFFFAOYSA-N
Canonic Smiles
BrC1C=CS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)C=CC(C1)Br
Calculated Properties
JChem
Acid pKa
13.835717
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.11775843
LogD (pH = 7.4)
0.117758274
Log P
0.11775843
Molar Refractivity
34.7569
Polarizability
14.30166
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...