Molecule

ID:7835

General Information
Structure
MolImage
Molecular Formula
C₂H₂F₂O₂
Molecular Mass
96.0328864
Exact Mass
96.00228574
Charge
0
InChI
InChI=1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)
InChIKey
PBWZKZYHONABLN-UHFFFAOYSA-N
Canonic Smiles
FC(C(=O)O)F
Isomeric Smiles
C(C(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
1.9955939
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0245337
LogD (pH = 7.4)
-3.3323872
Log P
0.19132826
Molar Refractivity
12.7825
Polarizability
5.088009
Polar Surface Area
37.3
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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