Molecule

ID:19174

General Information
Structure
MolImage
Molecular Formula
C₄HBrF₂N₂
Molecular Mass
194.9649464
Exact Mass
193.92911648
Charge
0
InChI
InChI=1S/C4HBrF2N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey
XIBSHDQUWTUSAI-UHFFFAOYSA-N
Canonic Smiles
Fc1ncnc(c1Br)F
Isomeric Smiles
c1nc(c(c(n1)F)Br)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8917533
LogD (pH = 7.4)
1.8917533
Log P
1.8917533
Molar Refractivity
32.8073
Polarizability
11.455904
Polar Surface Area
25.78
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