Molecule

ID:13795

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrF₄
Molecular Mass
242.9963328
Exact Mass
241.93542498
Charge
0
InChI
InChI=1S/C7H3BrF4/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H
InChIKey
XBBGYSIEJHXPLL-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Br)C(F)(F)F
Isomeric Smiles
C(c1c(cc(cc1)F)Br)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.762549
LogD (pH = 7.4)
3.762549
Log P
3.762549
Molar Refractivity
39.8709
Polarizability
14.646697
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
No Data Available
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Molecule Details
References
Bioactivity
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