Molecule

ID:98332

General Information
Structure
MolImage
Molecular Formula
C₅HF₈IO
Molecular Mass
355.9525356
Exact Mass
355.89443841
Charge
0
InChI
InChI=1S/C5HF8IO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1H
InChIKey
JWVQIGLCDUFCNM-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(=O)I)(F)F)(F)F)(F)F)F
Isomeric Smiles
IC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
Calculated Properties
JChem
Acid pKa
19.782104
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1927905
LogD (pH = 7.4)
3.1927905
Log P
3.1927905
Molar Refractivity
37.8312
Polarizability
15.723104
Polar Surface Area
17.07
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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