Molecule

ID:10376

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₂IO₂
Molecular Mass
249.9825764
Exact Mass
249.93023384
Charge
0
InChI
InChI=1S/C4H5F2IO2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey
HGWXXIZVRRTDKT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(I)(F)F
Isomeric Smiles
C(C(=O)OCC)(F)(I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4234
LogD (pH = 7.4)
1.4234
Log P
1.4234
Molar Refractivity
36.1463
Polarizability
14.279993
Polar Surface Area
26.3
Rotatable Bonds
3
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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