Molecule

ID:68674

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrF₃O₂
Molecular Mass
269.0153696
Exact Mass
267.93467603
Charge
0
InChI
InChI=1S/C8H4BrF3O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-4H
InChIKey
AXZVKHIUQLEMPJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1OC(F)(F)F)Br
Isomeric Smiles
C(=O)c1c(cc(cc1)Br)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8856125
LogD (pH = 7.4)
3.8856125
Log P
3.8856125
Molar Refractivity
43.3351
Polarizability
17.454832
Polar Surface Area
26.3
Rotatable Bonds
3
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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