Molecule

ID:42731

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂OS
Molecular Mass
283.96836
Exact Mass
281.83495975
Charge
0
InChI
InChI=1S/C6H4Br2OS/c1-3(9)5-2-4(7)6(8)10-5/h2H,1H3
InChIKey
OQALQEZJNNWAFM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1sc(c(c1)Br)Br
Isomeric Smiles
s1c(cc(c1Br)Br)C(=O)C
Calculated Properties
JChem
Acid pKa
14.689912
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.147276
LogD (pH = 7.4)
3.147276
Log P
3.147276
Molar Refractivity
47.7562
Polarizability
18.906942
Polar Surface Area
17.07
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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