Molecule

ID:71451

General Information
Structure
MolImage
Molecular Formula
C₇H₂BrF₅
Molecular Mass
260.986796
Exact Mass
259.92600316
Charge
0
InChI
InChI=1S/C7H2BrF5/c8-4-2-6(10)5(9)1-3(4)7(11,12)13/h1-2H
InChIKey
RYRRQLCTAKISEA-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)c(cc1F)C(F)(F)F
Isomeric Smiles
C(c1c(cc(c(c1)F)F)Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9052508
LogD (pH = 7.4)
3.9052508
Log P
3.9052508
Molar Refractivity
40.0873
Polarizability
14.668635
Polar Surface Area
0.0
Rotatable Bonds
1
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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