Molecule

ID:67885

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrCl₂N₂
Molecular Mass
241.90072
Exact Mass
239.88566547
Charge
0
InChI
InChI=1S/C5H3BrCl2N2/c1-2-3(6)4(7)10-5(8)9-2/h1H3
InChIKey
RRWAPFKBOJWJGU-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(C)c(c(n1)Cl)Br
Isomeric Smiles
c1(nc(c(c(n1)C)Br)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6826303
LogD (pH = 7.4)
2.6826305
Log P
2.6826305
Molar Refractivity
46.3013
Polarizability
17.426277
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
No Data Available
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Molecule Details
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References
Bioactivity
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