Molecule

ID:70975

General Information
Structure
MolImage
Molecular Formula
C₅H₄Br₂N₂
Molecular Mass
251.90666
Exact Mass
249.87412214
Charge
0
InChI
InChI=1S/C5H4Br2N2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
InChIKey
NAAJNKAJCAUMJS-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc(c(c1)Br)Br
Isomeric Smiles
c1c(cc(c(n1)Br)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6696719
LogD (pH = 7.4)
1.6696746
Log P
1.6696748
Molar Refractivity
44.6893
Polarizability
16.661879
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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