Molecule

ID:10686

General Information
Structure
Molecular Formula
C₁₀H₆Br₂
Molecular Mass
285.96264
Exact Mass
283.88362419
Charge
0
InChI
InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
InChIKey
IBGUDZMIAZLJNY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c2c1cccc2)Br
Isomeric Smiles
c1ccc2c(c1)c(ccc2Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.500228
LogD (pH = 7.4)
4.500228
Log P
4.500228
Molar Refractivity
57.7538
Polarizability
23.34518
Polar Surface Area
0.0
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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