Molecule

ID:54928

General Information
Structure
MolImage
Molecular Formula
C₆HBrCl₂N₂S
Molecular Mass
283.96054
Exact Mass
281.8420864
Charge
0
InChI
InChI=1S/C6HBrCl2N2S/c7-3-1-2-4(12-3)5(8)11-6(9)10-2/h1H
InChIKey
JSIBZFQOVIDMRH-UHFFFAOYSA-N
Canonic Smiles
Clc1nc2cc(sc2c(n1)Cl)Br
Isomeric Smiles
c1(nc2c(c(n1)Cl)sc(c2)Br)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9791315
LogD (pH = 7.4)
3.9791315
Log P
3.9791315
Molar Refractivity
53.8378
Polarizability
21.765656
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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