Molecule

ID:65817

General Information
Structure
MolImage
Molecular Formula
C₈H₆Br₂O₂
Molecular Mass
293.94004
Exact Mass
291.87345343
Charge
0
InChI
InChI=1S/C8H6Br2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChIKey
RBCUIRIGTNHLPS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Br)ccc1Br
Isomeric Smiles
c1(ccc(c(c1)C(=O)OC)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.514228
LogD (pH = 7.4)
3.514228
Log P
3.514228
Molar Refractivity
53.3289
Polarizability
20.721584
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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