Molecule

ID:95361

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrF₃O₂
Molecular Mass
299.0844096
Exact Mass
297.98162622
Charge
0
InChI
InChI=1S/C10H10BrF3O2/c1-6(2)15-9-4-3-7(5-8(9)11)16-10(12,13)14/h3-6H,1-2H3
InChIKey
IULMXYSSKXYIOB-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1Br)OC(F)(F)F)C
Isomeric Smiles
O(c1c(cc(cc1)OC(F)(F)F)Br)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7888217
LogD (pH = 7.4)
4.7888217
Log P
4.7888217
Molar Refractivity
52.3817
Polarizability
21.545923
Polar Surface Area
18.46
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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