Molecule

ID:67931

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrO₂S
Molecular Mass
207.04512
Exact Mass
205.90371234
Charge
0
InChI
InChI=1S/C5H3BrO2S/c6-4-1-3(2-9-4)5(7)8/h1-2H,(H,7,8)
InChIKey
YCNXGPMGMAKDPM-UHFFFAOYSA-N
Canonic Smiles
Brc1scc(c1)C(=O)O
Isomeric Smiles
c1c(cc(s1)Br)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5370648
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39000577
LogD (pH = 7.4)
-1.0179622
Log P
2.3460193
Molar Refractivity
37.2027
Polarizability
14.540056
Polar Surface Area
37.3
Rotatable Bonds
1
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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