Molecule

ID:51929

General Information
Structure
MolImage
Molecular Formula
C₈H₄Br₂S₂
Molecular Mass
324.05536
Exact Mass
321.81211613
Charge
0
InChI
InChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H
InChIKey
KBRZCEVRNLKHAZ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccsc1c1sccc1Br
Isomeric Smiles
c1c(c(sc1)c1sccc1Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7122726
LogD (pH = 7.4)
4.7122726
Log P
4.7122726
Molar Refractivity
60.2196
Polarizability
24.39808
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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