Molecule

ID:63448

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrCl₂N₂
Molecular Mass
277.93282
Exact Mass
275.88566547
Charge
0
InChI
InChI=1S/C8H3BrCl2N2/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H
InChIKey
LBAYOWRVZAKPLS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)c(Cl)nc(n2)Cl
Isomeric Smiles
c12nc(Cl)nc(Cl)c1cc(Br)cc2
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
22.862478
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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