Molecule

ID:76937

General Information
Structure
MolImage
Molecular Formula
C₅H₄Br₂S
Molecular Mass
255.95826
Exact Mass
253.84004513
Charge
0
InChI
InChI=1S/C5H4Br2S/c1-3-4(6)2-5(7)8-3/h2H,1H3
InChIKey
OGAJGUIMFMRGRB-UHFFFAOYSA-N
Canonic Smiles
Brc1sc(c(c1)Br)C
Isomeric Smiles
s1c(cc(c1C)Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1030498
LogD (pH = 7.4)
4.1030498
Log P
4.1030498
Molar Refractivity
42.6256
Polarizability
16.84158
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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