Molecule

ID:7770

General Information
Structure
MolImage
Molecular Formula
C₆BrF₅
Molecular Mass
246.960216
Exact Mass
245.9103531
Charge
0
InChI
InChI=1S/C6BrF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChIKey
XEKTVXADUPBFOA-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1F)Br)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4555082
LogD (pH = 7.4)
3.4555082
Log P
3.4555082
Molar Refractivity
34.7628
Polarizability
12.916718
Polar Surface Area
0.0
Rotatable Bonds
0
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