Molecule

ID:52702

General Information
Structure
MolImage
Molecular Formula
C₆H₂ClF₃IN
Molecular Mass
307.4394596
Exact Mass
306.88725941
Charge
0
InChI
InChI=1S/C6H2ClF3IN/c7-5-1-4(11)3(2-12-5)6(8,9)10/h1-2H
InChIKey
XEEQBBXEZSNIQV-UHFFFAOYSA-N
Canonic Smiles
FC(c1cnc(cc1I)Cl)(F)F
Isomeric Smiles
c1(cnc(cc1I)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.386588
LogD (pH = 7.4)
3.386588
Log P
3.386588
Molar Refractivity
49.1034
Polarizability
18.403852
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