Molecule

ID:68678

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrFNO₂
Molecular Mass
234.0225032
Exact Mass
232.94876863
Charge
0
InChI
InChI=1S/C7H5BrFNO2/c1-4-2-6(9)5(8)3-7(4)10(11)12/h2-3H,1H3
InChIKey
MTTNTJRJOFVWSY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Br)c(cc1C)F
Isomeric Smiles
c1(c(cc(c(c1)F)Br)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.338106
LogD (pH = 7.4)
3.338106
Log P
3.338106
Molar Refractivity
45.2589
Polarizability
16.816061
Polar Surface Area
43.14
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