Molecule

ID:42877

General Information
Structure
MolImage
Molecular Formula
C₆H₄Br₂O₂S
Molecular Mass
299.96776
Exact Mass
297.82987437
Charge
0
InChI
InChI=1S/C6H4Br2O2S/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
InChIKey
URPMSPAEAVFKCO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(c(c1)Br)Br
Isomeric Smiles
c1(sc(c(c1)Br)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5931053
LogD (pH = 7.4)
3.5931053
Log P
3.5931053
Molar Refractivity
49.3787
Polarizability
19.716486
Polar Surface Area
26.3
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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