Molecule

ID:85156

General Information
Structure
MolImage
Molecular Formula
C₄H₄BrClO₂S
Molecular Mass
231.49536
Exact Mass
229.88039005
Charge
0
InChI
InChI=1S/C4H4BrClO2S/c5-3-1-9(7,8)2-4(3)6/h2-3H,1H2
InChIKey
ZZGHEDGOLOYVHL-UHFFFAOYSA-N
Canonic Smiles
BrC1CS(=O)(=O)C=C1Cl
Isomeric Smiles
S1(=O)(=O)C=C(Cl)C(C1)Br
Calculated Properties
JChem
Acid pKa
12.453586
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.35452148
LogD (pH = 7.4)
0.3545177
Log P
0.35452154
Molar Refractivity
39.4731
Polarizability
16.282518
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
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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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