Molecule

ID:11865

General Information
Structure
MolImage
Molecular Formula
C₆H₃BrF₃N
Molecular Mass
225.9939296
Exact Mass
224.94009576
Charge
0
InChI
InChI=1S/C6H3BrF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H
InChIKey
OFGSIPQYQUVVPL-UHFFFAOYSA-N
Canonic Smiles
Brc1ncccc1C(F)(F)F
Isomeric Smiles
c1cnc(c(c1)C(F)(F)F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6076925
LogD (pH = 7.4)
2.6076965
Log P
2.6076965
Molar Refractivity
38.3398
Polarizability
13.984801
Polar Surface Area
12.89
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