Molecule

ID:10388

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₄O₂
Molecular Mass
146.0403928
Exact Mass
145.99909218
Charge
0
InChI
InChI=1S/C3H2F4O2/c4-1(2(8)9)3(5,6)7/h1H,(H,8,9)
InChIKey
GPKYZQLMEPJAGJ-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)C(=O)O
Isomeric Smiles
C(C(C(=O)O)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
2.2329996
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0602098
LogD (pH = 7.4)
-2.5093555
Log P
1.0175506
Molar Refractivity
17.8492
Polarizability
6.9803452
Polar Surface Area
37.3
Rotatable Bonds
2
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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