Molecule

ID:75908

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)9(2)5(7)8-3/h1-2H3
InChIKey
AFIOEMVCUQOFOH-UHFFFAOYSA-N
Canonic Smiles
Brc1nc(c(n1C)Br)C
Isomeric Smiles
n1c(n(C)c(c1C)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7395847
LogD (pH = 7.4)
1.7429541
Log P
1.7429973
Molar Refractivity
43.5306
Polarizability
16.87797
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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