Molecule

ID:22294

General Information
Structure
MolImage
Molecular Formula
C₅H₂BrCl₂N
Molecular Mass
226.88608
Exact Mass
224.87476643
Charge
0
InChI
InChI=1S/C5H2BrCl2N/c6-3-1-4(7)5(8)9-2-3/h1-2H
InChIKey
XWSCOGPKWVNQSV-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)Cl)Cl
Isomeric Smiles
c1(cnc(c(c1)Cl)Cl)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9525926
LogD (pH = 7.4)
2.9525926
Log P
2.9525926
Molar Refractivity
42.1948
Polarizability
16.376102
Polar Surface Area
12.89
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
No Data Available
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Molecule Details
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References
Bioactivity
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