Molecule

ID:52666

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrCl₂N₂
Molecular Mass
277.93282
Exact Mass
275.88566547
Charge
0
InChI
InChI=1S/C8H3BrCl2N2/c9-5-3-1-2-4-6(5)12-8(11)13-7(4)10/h1-3H
InChIKey
BHXJPWCPEFXWMH-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(Cl)c2c(n1)c(Br)ccc2
Isomeric Smiles
c1cc(c2c(c1)c(nc(n2)Cl)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9265873
LogD (pH = 7.4)
3.9265873
Log P
3.9265873
Molar Refractivity
57.788
Polarizability
22.870884
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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