Molecule

ID:9388

General Information
Structure
MolImage
Molecular Formula
C₄H₄F₂O₄
Molecular Mass
154.0689664
Exact Mass
154.00776505
Charge
0
InChI
InChI=1S/C4H4F2O4/c5-4(6,3(9)10)1-2(7)8/h1H2,(H,7,8)(H,9,10)
InChIKey
ZYLFHISLYSHWRH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(C(=O)O)(F)F
Isomeric Smiles
O=C(O)C(CC(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
2.3614516
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.3419642
LogD (pH = 7.4)
-5.6374116
Log P
0.36952543
Molar Refractivity
23.6558
Polarizability
9.388137
Polar Surface Area
74.6
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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