Molecule

ID:53183

General Information
Structure
MolImage
Molecular Formula
C₆H₆Br₂S
Molecular Mass
269.98484
Exact Mass
267.85569519
Charge
0
InChI
InChI=1S/C6H6Br2S/c1-3-5(7)4(2)9-6(3)8/h1-2H3
InChIKey
RPCAOQRHVBMFNW-UHFFFAOYSA-N
Canonic Smiles
Brc1sc(c(c1C)Br)C
Isomeric Smiles
c1(sc(c(c1C)Br)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6164713
LogD (pH = 7.4)
4.6164713
Log P
4.6164713
Molar Refractivity
47.6668
Polarizability
18.53508
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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