Molecule

ID:54930

General Information
Structure
MolImage
Molecular Formula
C₆H₂BrClN₂S
Molecular Mass
249.51548
Exact Mass
247.88105875
Charge
0
InChI
InChI=1S/C6H2BrClN2S/c7-3-1-11-5-4(3)9-2-10-6(5)8/h1-2H
InChIKey
LJFZDPZIIKOATA-UHFFFAOYSA-N
Canonic Smiles
Brc1csc2c1ncnc2Cl
Isomeric Smiles
c1nc2c(c(n1)Cl)scc2Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.904585
LogD (pH = 7.4)
2.9045851
Log P
2.9045851
Molar Refractivity
49.1793
Polarizability
19.633577
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
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References
Bioactivity
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