Molecule

ID:91186

General Information
Structure
MolImage
Molecular Formula
C₈H₆Br₂O₂
Molecular Mass
293.94004
Exact Mass
291.87345343
Charge
0
InChI
InChI=1S/C8H6Br2O2/c1-5(11)12-8-3-6(9)2-7(10)4-8/h2-4H,1H3
InChIKey
QPXGHGNAEBFULS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1cc(Br)cc(c1)Br
Isomeric Smiles
Brc1cc(cc(c1)Br)OC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.118012
LogD (pH = 7.4)
3.118012
Log P
3.118012
Molar Refractivity
52.436
Polarizability
20.725697
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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