Molecule

ID:61487

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrClN₂
Molecular Mass
243.48776
Exact Mass
241.92463782
Charge
0
InChI
InChI=1S/C8H4BrClN2/c9-6-4-12-8(10)7-5(6)2-1-3-11-7/h1-4H
InChIKey
GEVCHQPTJOFDSA-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c2c1cccn2)Cl
Isomeric Smiles
c1cnc2c(c1)c(cnc2Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5061743
LogD (pH = 7.4)
2.5062022
Log P
2.5062025
Molar Refractivity
51.3113
Polarizability
20.794565
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
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References
Bioactivity
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