Molecule

ID:69271

General Information
Structure
Molecular Formula
C₅H₄Br₂N₂
Molecular Mass
251.90666
Exact Mass
249.87412214
Charge
0
InChI
InChI=1S/C5H4Br2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
InChIKey
MNRBVTDLMUNVLD-UHFFFAOYSA-N
Canonic Smiles
Brc1cncc(c1N)Br
Isomeric Smiles
c1c(c(c(cn1)Br)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0964906
LogD (pH = 7.4)
1.4556537
Log P
1.4641527
Molar Refractivity
43.8471
Polarizability
16.616625
Polar Surface Area
38.91
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
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Molecule Details
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References
Bioactivity
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