Molecule

ID:28199

General Information
Structure
MolImage
Molecular Formula
C₈H₆Br₂O₂
Molecular Mass
293.94004
Exact Mass
291.87345343
Charge
0
InChI
InChI=1S/C8H6Br2O2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H3
InChIKey
NJFNLMDSRHQQNR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)cc(c1OC)Br
Isomeric Smiles
c1(c(c(cc(c1)Br)Br)OC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.065582
LogD (pH = 7.4)
3.065582
Log P
3.065582
Molar Refractivity
54.3508
Polarizability
20.721052
Polar Surface Area
26.3
Rotatable Bonds
2
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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