Molecule

ID:34797

General Information
Structure
MolImage
Molecular Formula
C₄HBr₂ClO₂S₂
Molecular Mass
340.44054
Exact Mass
337.74732295
Charge
0
InChI
InChI=1S/C4HBr2ClO2S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H
InChIKey
WJYGHWXWQSCONR-UHFFFAOYSA-N
Canonic Smiles
Brc1sc(cc1Br)S(=O)(=O)Cl
Isomeric Smiles
c1(S(=O)(=O)Cl)sc(c(c1)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.569488
LogD (pH = 7.4)
3.569488
Log P
3.569488
Molar Refractivity
50.9234
Polarizability
21.585688
Polar Surface Area
34.14
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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