Molecule

ID:13710

General Information
Structure
MolImage
Molecular Formula
C₅H₄Br₂N₂
Molecular Mass
251.90666
Exact Mass
249.87412214
Charge
0
InChI
InChI=1S/C5H4Br2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
InChIKey
WJMJWMSWJSACSN-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1)Br)N
Isomeric Smiles
c1(cnc(c(c1)Br)N)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0551338
LogD (pH = 7.4)
2.0585663
Log P
2.0586102
Molar Refractivity
44.1606
Polarizability
16.616228
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
No Data Available
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Molecule Details
References
Bioactivity
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