Molecule

ID:85157

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrO₂S
Molecular Mass
211.07688
Exact Mass
209.93501246
Charge
0
InChI
InChI=1S/C5H7BrO2S/c1-4-2-9(7,8)3-5(4)6/h2,5H,3H2,1H3
InChIKey
DEUTYJVGWAZEKM-UHFFFAOYSA-N
Canonic Smiles
BrC1CS(=O)(=O)C=C1C
Isomeric Smiles
S1(=O)(=O)C=C(C)C(C1)Br
Calculated Properties
JChem
Acid pKa
14.158872
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.3611197
LogD (pH = 7.4)
0.36111963
Log P
0.3611197
Molar Refractivity
39.0389
Polarizability
16.082844
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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