Molecule

ID:97594

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₉I
Molecular Mass
371.9701788
Exact Mass
371.90575204
Charge
0
InChI
InChI=1S/C6H2F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H
InChIKey
JLNNSBACHLCUOY-UHFFFAOYSA-N
Canonic Smiles
I/C=C/C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
I/C=C/C(C(F)(F)C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.263528
LogD (pH = 7.4)
4.263528
Log P
4.263528
Molar Refractivity
44.3126
Polarizability
16.886196
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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