Molecule

ID:99843

General Information
Structure
MolImage
Molecular Formula
C₈H₅Br₂F₃
Molecular Mass
317.9285096
Exact Mass
315.87100882
Charge
0
InChI
InChI=1S/C8H5Br2F3/c9-4-5-3-6(8(11,12)13)1-2-7(5)10/h1-3H,4H2
InChIKey
TXJHPBWTPBYLFP-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(ccc1Br)C(F)(F)F
Isomeric Smiles
BrCc1c(ccc(c1)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3925843
LogD (pH = 7.4)
4.3925843
Log P
4.3925843
Molar Refractivity
52.5049
Polarizability
19.552362
Polar Surface Area
0.0
Rotatable Bonds
2
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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