Molecule

ID:83353

General Information
Structure
MolImage
Molecular Formula
C₅H₈Br₂O₂
Molecular Mass
259.92382
Exact Mass
257.8891035
Charge
0
InChI
InChI=1S/C5H8Br2O2/c6-3-5(7)4-9-2-1-8/h3,8H,1-2,4H2
InChIKey
QTIGNOVUWUQIHQ-UHFFFAOYSA-N
Canonic Smiles
OCCOC/C(=C/Br)/Br
Isomeric Smiles
Br/C(=C\Br)/COCCO
Calculated Properties
JChem
Acid pKa
15.1204405
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0490738
LogD (pH = 7.4)
1.0490738
Log P
1.0490738
Molar Refractivity
43.6213
Polarizability
17.015326
Polar Surface Area
29.46
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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