Molecule

ID:6879

General Information
Structure
Molecular Formula
C₇H₃BrF₄
Molecular Mass
242.9963328
Exact Mass
241.93542498
Charge
0
InChI
InChI=1S/C7H3BrF4/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChIKey
LIGBGEJPUQBLTG-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Br)cc(c1)C(F)(F)F
Isomeric Smiles
c1(cc(cc(c1)C(F)(F)F)Br)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
14.645404
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation