Molecule

ID:12442

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Br₂
Molecular Mass
285.96264
Exact Mass
283.88362419
Charge
0
InChI
InChI=1S/C10H6Br2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H
InChIKey
ODJZWBLNJKNOJK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)cc(cc2)Br
Isomeric Smiles
c1c(ccc2ccc(cc12)Br)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
23.338371
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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