Molecule

ID:75899

General Information
Structure
MolImage
Molecular Formula
C₅H₆Br₂N₂
Molecular Mass
253.92254
Exact Mass
251.8897722
Charge
0
InChI
InChI=1S/C5H6Br2N2/c1-3-4(6)8-5(7)9(3)2/h1-2H3
InChIKey
LXOXPLOMFHDMMB-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(c(n1C)C)Br
Isomeric Smiles
n1(c(nc(c1C)Br)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.314406
LogD (pH = 7.4)
2.3163304
Log P
2.316355
Molar Refractivity
45.149
Polarizability
16.886042
Polar Surface Area
17.82
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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