Molecule

ID:71306

General Information
Structure
Molecular Formula
C₁₀H₆Br₂N₂
Molecular Mass
313.97604
Exact Mass
311.8897722
Charge
0
InChI
InChI=1S/C10H6Br2N2/c11-9-3-1-7(5-13-9)8-2-4-10(12)14-6-8/h1-6H
InChIKey
IJTQXCQPBVBRSV-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cn1)c1ccc(nc1)Br
Isomeric Smiles
n1c(ccc(c2cnc(cc2)Br)c1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1336515
LogD (pH = 7.4)
3.1336753
Log P
3.1336756
Molar Refractivity
63.8104
Polarizability
25.187325
Polar Surface Area
25.78
Rotatable Bonds
1
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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