Molecule

ID:124170

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrO₂S
Molecular Mass
197.0503
Exact Mass
195.9193624
Charge
0
InChI
InChI=1S/C4H5BrO2S/c5-4-2-1-3-8(4,6)7/h2H,1,3H2
InChIKey
IXIQTIKATBUZNM-UHFFFAOYSA-N
Canonic Smiles
BrC1=CCCS1(=O)=O
Isomeric Smiles
S1(=O)(=O)C(=CCC1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0759611
LogD (pH = 7.4)
1.0759611
Log P
1.0759611
Molar Refractivity
34.1406
Polarizability
14.322417
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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