Molecule

ID:92132

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrO₂S
Molecular Mass
235.09828
Exact Mass
233.93501246
Charge
0
InChI
InChI=1S/C7H7BrO2S/c8-5-3-6(11-4-5)7-9-1-2-10-7/h3-4,7H,1-2H2
InChIKey
GDNOSUAFGZBAOR-UHFFFAOYSA-N
Canonic Smiles
Brc1csc(c1)C1OCCO1
Isomeric Smiles
O1C(c2cc(cs2)Br)OCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.638034
LogD (pH = 7.4)
2.638034
Log P
2.638034
Molar Refractivity
45.9499
Polarizability
18.20087
Polar Surface Area
18.46
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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