Molecule

ID:99221

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br₂F₃
Molecular Mass
317.9285096
Exact Mass
315.87100882
Charge
0
InChI
InChI=1S/C8H5Br2F3/c1-4-6(8(11,12)13)2-5(9)3-7(4)10/h2-3H,1H3
InChIKey
ACIQEMYSAZVEKU-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(c(c1)C(F)(F)F)C
Isomeric Smiles
Brc1cc(c(c(c1)C(F)(F)F)C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.902021
LogD (pH = 7.4)
4.902021
Log P
4.902021
Molar Refractivity
52.3185
Polarizability
19.57278
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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