Molecule

ID:94937

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₄IO
Molecular Mass
320.0227828
Exact Mass
319.93212566
Charge
0
InChI
InChI=1S/C8H5F4IO/c9-7(10)8(11,12)14-6-3-1-5(13)2-4-6/h1-4,7H
InChIKey
BVBKUIQRNCSAFZ-UHFFFAOYSA-N
Canonic Smiles
FC(C(Oc1ccc(cc1)I)(F)F)F
Isomeric Smiles
Ic1ccc(cc1)OC(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.811844
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0589933
LogD (pH = 7.4)
4.0589933
Log P
4.0589933
Molar Refractivity
51.0092
Polarizability
19.608295
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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