Molecule

ID:97167

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClF₅O₂
Molecular Mass
224.513196
Exact Mass
223.96634808
Charge
0
InChI
InChI=1S/C5H2ClF5O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2
InChIKey
ROENNRBHLMUPFZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)CC(=O)C(Cl)(F)F
Isomeric Smiles
FC(F)(Cl)C(=O)CC(=O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
1.1922127
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.35315728
LogD (pH = 7.4)
-0.38422173
Log P
2.7994776
Molar Refractivity
32.9452
Polarizability
12.03775
Polar Surface Area
34.14
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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