Molecule

ID:79275

General Information
Structure
MolImage
Molecular Formula
C₈H₈Br₂O₂
Molecular Mass
295.95592
Exact Mass
293.8891035
Charge
0
InChI
InChI=1S/C8H8Br2O2/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4H,1-2H3
InChIKey
SVPXSTJZZSDWIA-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)c(cc1Br)Br
Isomeric Smiles
Brc1c(cc(c(c1)Br)OC)OC
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
21.308683
Polar Surface Area
18.46
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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