Molecule

ID:67966

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₂N₂S
Molecular Mass
293.96648
Exact Mass
291.83054307
Charge
0
InChI
InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKey
FEOWHLLJXAECMU-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c2c1nsn2)Br
Isomeric Smiles
n1snc2c1c(ccc2Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.65438
LogD (pH = 7.4)
3.65438
Log P
3.65438
Molar Refractivity
51.786
Polarizability
20.72205
Polar Surface Area
25.78
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
References
Bioactivity
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