Molecule

ID:8519

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrClO₂S₂
Molecular Mass
261.54448
Exact Mass
259.83681098
Charge
0
InChI
InChI=1S/C4H2BrClO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
InChIKey
WGYBIEOLAFYDEC-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(s1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1sc(cc1)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8007355
LogD (pH = 7.4)
2.8007355
Log P
2.8007355
Molar Refractivity
43.3006
Polarizability
18.374418
Polar Surface Area
34.14
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
No Data Available
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Molecule Details
References
Bioactivity
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