Molecule

ID:70538

General Information
Structure
MolImage
Molecular Formula
C₈H₄Br₂S₂
Molecular Mass
324.05536
Exact Mass
321.81211613
Charge
0
InChI
InChI=1S/C8H4Br2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H
InChIKey
SXNCMLQAQIGJDO-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(s1)c1ccc(s1)Br
Isomeric Smiles
c1(ccc(s1)Br)c1ccc(s1)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0442643
LogD (pH = 7.4)
5.0442643
Log P
5.0442643
Molar Refractivity
58.5394
Polarizability
24.45305
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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