Molecule

ID:9317

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₃O₂
Molecular Mass
140.0606296
Exact Mass
140.008514
Charge
0
InChI
InChI=1S/C4H3F3O2/c1-2(3(8)9)4(5,6)7/h1H2,(H,8,9)
InChIKey
VLSRKCIBHNJFHA-UHFFFAOYSA-N
Canonic Smiles
C=C(C(F)(F)F)C(=O)O
Isomeric Smiles
O=C(C(=C)C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
3.0602908
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1144017
LogD (pH = 7.4)
-2.1740575
Log P
1.2929249
Molar Refractivity
22.581
Polarizability
8.280639
Polar Surface Area
37.3
Rotatable Bonds
2
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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