Molecule

ID:11737

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrClN₂
Molecular Mass
193.42908
Exact Mass
191.90898775
Charge
0
InChI
InChI=1S/C4H2BrClN2/c5-3-1-7-4(6)8-2-3/h1-2H
InChIKey
XPGIBDJXEVAVTO-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(nc1)Cl
Isomeric Smiles
c1(cnc(nc1)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7270384
LogD (pH = 7.4)
1.7270384
Log P
1.7270384
Molar Refractivity
35.8437
Polarizability
13.6332
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
References
Bioactivity
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