Molecule

ID:136827

General Information
Structure
MolImage
Molecular Formula
C₆H₈Br₂O₂
Molecular Mass
271.93452
Exact Mass
269.8891035
Charge
0
InChI
InChI=1S/C6H8Br2O2/c1-3(7)5(9)6(10)4(2)8/h3-4H,1-2H3
InChIKey
QISBUOBKMZFWRW-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)C(=O)C(Br)C)Br
Isomeric Smiles
CC(C(=O)C(=O)C(C)Br)Br
Calculated Properties
JChem
Acid pKa
14.39285
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9787061
LogD (pH = 7.4)
2.9787061
Log P
2.9787061
Molar Refractivity
46.002
Polarizability
17.92891
Polar Surface Area
34.14
Rotatable Bonds
3
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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