Molecule

ID:94851

General Information
Structure
MolImage
Molecular Formula
C₇BrF₄N
Molecular Mass
253.9792128
Exact Mass
252.91502389
Charge
0
InChI
InChI=1S/C7BrF4N/c8-3-6(11)4(9)2(1-13)5(10)7(3)12
InChIKey
STJZOKCIEOTPDV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)c(F)c(c(c1F)F)Br
Isomeric Smiles
Fc1c(c(c(c(c1F)Br)F)F)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1689024
LogD (pH = 7.4)
3.1689024
Log P
3.1689024
Molar Refractivity
40.268
Polarizability
14.718707
Polar Surface Area
23.79
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