Molecule

ID:107454

General Information
Structure
MolImage
Molecular Formula
C₈H₆Br₂O
Molecular Mass
277.94064
Exact Mass
275.87853881
Charge
0
InChI
InChI=1S/C8H6Br2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2
InChIKey
VUYGJYAPDGKPBF-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)C(=O)Br
Isomeric Smiles
BrCc1ccc(cc1)C(=O)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0869484
LogD (pH = 7.4)
3.0869484
Log P
3.0869484
Molar Refractivity
52.622
Polarizability
19.789774
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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