Molecule

ID:109911

General Information
Structure
MolImage
Molecular Formula
C₈H₈Br₂O₂
Molecular Mass
295.95592
Exact Mass
293.8891035
Charge
0
InChI
InChI=1S/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
InChIKey
ZYCLQXMMFJREPJ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(Br)c(cc1OC)Br
Isomeric Smiles
COc1cc(Br)c(Br)cc1OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1954086
LogD (pH = 7.4)
3.1954086
Log P
3.1954086
Molar Refractivity
54.23
Polarizability
21.302254
Polar Surface Area
18.46
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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