Molecule

ID:24245

General Information
Structure
MolImage
Molecular Formula
C₆H₆Br₂N₂
Molecular Mass
265.93324
Exact Mass
263.8897722
Charge
0
InChI
InChI=1S/C6H6Br2N2/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3,(H2,9,10)
InChIKey
LLGXZSVWYCKUBB-UHFFFAOYSA-N
Canonic Smiles
Brc1cnc(c(c1C)Br)N
Isomeric Smiles
c1(c(c(c(cn1)Br)C)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5328887
LogD (pH = 7.4)
2.5715146
Log P
2.5720315
Molar Refractivity
49.2018
Polarizability
18.316809
Polar Surface Area
38.91
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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