Molecule

ID:6565

General Information
Structure
Molecular Formula
C₆H₆Br₂N₂
Molecular Mass
265.93324
Exact Mass
263.8897722
Charge
0
InChI
InChI=1S/C6H6Br2N2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
InChIKey
BLUYMDMBXIMIGK-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(nc1C)N
Isomeric Smiles
c1(N)c(Br)cc(Br)c(C)n1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.164488
LogD (pH = 7.4)
2.1896498
Log P
2.1899803
Molar Refractivity
48.7521
Polarizability
18.31723
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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