Molecule

ID:77634

General Information
Structure
MolImage
Molecular Formula
C₅H₄Br₂S
Molecular Mass
255.95826
Exact Mass
253.84004513
Charge
0
InChI
InChI=1S/C5H4Br2S/c6-1-4-2-8-3-5(4)7/h2-3H,1H2
InChIKey
PYHREWOWCJSFSE-UHFFFAOYSA-N
Canonic Smiles
BrCc1cscc1Br
Isomeric Smiles
s1cc(c(c1)Br)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2951777
LogD (pH = 7.4)
3.2951777
Log P
3.2951777
Molar Refractivity
43.637
Polarizability
16.790804
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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