Molecule

ID:94945

General Information
Structure
MolImage
Molecular Formula
C₈H₄BrF₃O₂
Molecular Mass
269.0153696
Exact Mass
267.93467603
Charge
0
InChI
InChI=1S/C8H4BrF3O2/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-4H
InChIKey
ALIVUZVZCLVJQN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(cc(c1)Br)OC(F)(F)F
Isomeric Smiles
Brc1cc(cc(c1)OC(F)(F)F)C=O
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
17.453262
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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