Molecule

ID:58446

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈Br₂
Molecular Mass
311.99992
Exact Mass
309.89927426
Charge
0
InChI
InChI=1S/C12H8Br2/c13-9-5-3-7-1-2-8-4-6-10(14)12(9)11(7)8/h3-6H,1-2H2
InChIKey
UXSHNPXCELYWAW-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c3c1c(Br)ccc3CC2
Isomeric Smiles
c12c3c(ccc1CCc2ccc3Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0633445
LogD (pH = 7.4)
5.0633445
Log P
5.0633445
Molar Refractivity
66.034
Polarizability
26.129484
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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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