Molecule

ID:6635

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrF₃O
Molecular Mass
241.0052696
Exact Mass
239.93976141
Charge
0
InChI
InChI=1S/C7H4BrF3O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H
InChIKey
SEAOBYFQWJFORM-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1ccc(cc1)Br)(F)F
Isomeric Smiles
O(C(F)(F)F)c1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.17311
LogD (pH = 7.4)
4.17311
Log P
4.17311
Molar Refractivity
36.7511
Polarizability
15.474467
Polar Surface Area
9.23
Rotatable Bonds
2
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