Molecule

ID:8716

General Information
Structure
Molecular Formula
C₆H₃Br₂ClO₂S
Molecular Mass
334.41282
Exact Mass
331.79090202
Charge
0
InChI
InChI=1S/C6H3Br2ClO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H
InChIKey
ZLMPLIWURYRGEB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)S(=O)(=O)Cl)Br
Isomeric Smiles
c1(cc(c(cc1)Br)S(=O)(=O)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4570541
LogD (pH = 7.4)
3.4570541
Log P
3.4570541
Molar Refractivity
55.4978
Polarizability
22.561687
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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