Molecule

ID:7823

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrF₃O₃
Molecular Mass
327.0945096
Exact Mass
325.97654084
Charge
0
InChI
InChI=1S/C11H10BrF3O3/c1-17-10(16)9(12)6-7-2-4-8(5-3-7)18-11(13,14)15/h2-5,9H,6H2,1H3
InChIKey
DGQGOJSRNVNZMF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccc(cc1)OC(F)(F)F)Br
Isomeric Smiles
O=C(C(Cc1ccc(cc1)OC(F)(F)F)Br)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.3015895
LogD (pH = 7.4)
4.3015895
Log P
4.3015895
Molar Refractivity
57.3327
Polarizability
23.47171
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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