Molecule

ID:63447

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrClN₂
Molecular Mass
243.48776
Exact Mass
241.92463782
Charge
0
InChI
InChI=1S/C8H4BrClN2/c9-5-1-2-7-6(3-5)8(10)12-4-11-7/h1-4H
InChIKey
JFJNDMNYNYLFLJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(Cl)ncn2
Isomeric Smiles
c12c(Cl)ncnc1ccc(Br)c2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0180357
LogD (pH = 7.4)
3.018037
Log P
3.018037
Molar Refractivity
52.2894
Polarizability
20.778135
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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