Molecule

ID:54927

General Information
Structure
MolImage
Molecular Formula
C₆HBrCl₂N₂S
Molecular Mass
283.96054
Exact Mass
281.8420864
Charge
0
InChI
InChI=1S/C6HBrCl2N2S/c7-2-1-12-4-3(2)10-6(9)11-5(4)8/h1H
InChIKey
SELNIRJYLYMJKG-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)c(Br)cs2
Isomeric Smiles
c1(nc2c(c(n1)Cl)scc2Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8131354
LogD (pH = 7.4)
3.8131354
Log P
3.8131354
Molar Refractivity
54.6779
Polarizability
21.741787
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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