Molecule

ID:54514

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₃I₂N
Molecular Mass
398.8909296
Exact Mass
398.82287973
Charge
0
InChI
InChI=1S/C6H2F3I2N/c7-6(8,9)3-1-4(10)5(11)12-2-3/h1-2H
InChIKey
VLXFJYJAZSYLCZ-UHFFFAOYSA-N
Canonic Smiles
Ic1ncc(cc1I)C(F)(F)F
Isomeric Smiles
c1(cnc(c(c1)I)I)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5238984
LogD (pH = 7.4)
3.5238984
Log P
3.5238984
Molar Refractivity
56.3079
Polarizability
22.070286
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