Molecule

ID:69599

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)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey
GSMAWUZTAIOCPL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Br)cc(c1)Br
Isomeric Smiles
C(=O)(c1cc(cc(c1)Br)Br)OC
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
20.719124
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
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Molecule Details
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References
Bioactivity
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