Molecule

ID:9535

General Information
Structure
MolImage
Molecular Formula
C₈H₃BrF₆
Molecular Mass
293.0038392
Exact Mass
291.93223142
Charge
0
InChI
InChI=1S/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H
InChIKey
CSVCVIHEBDJTCJ-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(cc(cc(c1)Br)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4976954
LogD (pH = 7.4)
4.4976954
Log P
4.4976954
Molar Refractivity
45.6282
Polarizability
16.47642
Polar Surface Area
0.0
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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