Molecule

ID:30392

General Information
Structure
MolImage
Molecular Formula
C₄H₈Br₂N₂S
Molecular Mass
275.99272
Exact Mass
273.87749327
Charge
0
InChI
InChI=1S/C4H6N2S.2BrH/c5-3-1-7-2-4(3)6;;/h1-2H,5-6H2;2*1H
InChIKey
WGSALEGYSVVPJQ-UHFFFAOYSA-N
Canonic Smiles
Nc1cscc1N.Br.Br
Isomeric Smiles
c1(c(csc1)N)N.Br.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.09583586
LogD (pH = 7.4)
0.095835865
Log P
0.095835865
Molar Refractivity
32.5646
Polarizability
11.237133
Polar Surface Area
52.04
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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