Molecule

ID:54564

General Information
Structure
Molecular Formula
C₆H₂F₄INO₃S
Molecular Mass
371.0480628
Exact Mass
370.87362481
Charge
0
InChI
InChI=1S/C6H2F4INO3S/c7-3-1-4(11)5(12-2-3)15-16(13,14)6(8,9)10/h1-2H
InChIKey
FGMROSXFLPQCML-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(c(c1)I)OS(=O)(=O)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)I)OS(=O)(=O)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6323876
LogD (pH = 7.4)
3.6323876
Log P
3.6323876
Molar Refractivity
52.9773
Polarizability
21.566874
Polar Surface Area
56.26
Rotatable Bonds
3
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