Molecule

ID:9985

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₃I
Molecular Mass
272.0063396
Exact Mass
271.93098279
Charge
0
InChI
InChI=1S/C7H4F3I/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H
InChIKey
SKGRFPGOGCHDPC-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)I)(F)F
Isomeric Smiles
c1c(ccc(c1)C(F)(F)F)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7800388
LogD (pH = 7.4)
3.7800388
Log P
3.7800388
Molar Refractivity
45.3942
Polarizability
17.047335
Polar Surface Area
0.0
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