Molecule

ID:42573

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂OS
Molecular Mass
283.96836
Exact Mass
281.83495975
Charge
0
InChI
InChI=1S/C6H4Br2OS/c7-3-5(9)6-4(8)1-2-10-6/h1-2H,3H2
InChIKey
HGPTXIHDLCSSOZ-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1sccc1Br
Isomeric Smiles
c1(c(ccs1)Br)C(=O)CBr
Calculated Properties
JChem
Acid pKa
13.953954
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9353664
LogD (pH = 7.4)
2.9353664
Log P
2.9353664
Molar Refractivity
48.7102
Polarizability
18.790503
Polar Surface Area
17.07
Rotatable Bonds
2
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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