Molecule

ID:92261

General Information
Structure
MolImage
Molecular Formula
C₉H₈Br₂O
Molecular Mass
291.96722
Exact Mass
289.89418888
Charge
0
InChI
InChI=1S/C9H8Br2O/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6H,1H3
InChIKey
GKALOSTUZMFUQB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)C(=O)C(Br)C
Isomeric Smiles
Brc1ccc(cc1)C(=O)C(Br)C
Calculated Properties
JChem
Acid pKa
15.886428
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5912492
LogD (pH = 7.4)
3.5912492
Log P
3.5912492
Molar Refractivity
56.3142
Polarizability
21.627903
Polar Surface Area
17.07
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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