Molecule

ID:98713

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrF₃O₂
Molecular Mass
297.0685296
Exact Mass
295.96597616
Charge
0
InChI
InChI=1S/C10H8BrF3O2/c1-16-9(15)5-6-2-3-8(11)7(4-6)10(12,13)14/h2-4H,5H2,1H3
InChIKey
VNSTXVLKZHRGDY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1ccc(c(c1)C(F)(F)F)Br
Isomeric Smiles
O=C(Cc1cc(c(cc1)Br)C(F)(F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4034894
LogD (pH = 7.4)
3.4034894
Log P
3.4034894
Molar Refractivity
55.7312
Polarizability
20.97457
Polar Surface Area
26.3
Rotatable Bonds
4
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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