Molecule

ID:8211

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₃O₂
Molecular Mass
140.0606296
Exact Mass
140.008514
Charge
0
InChI
InChI=1S/C4H3F3O2/c5-4(6,7)2-1-3(8)9/h1-2H,(H,8,9)/b2-1+
InChIKey
QZBAYURFHCTXOJ-OWOJBTEDSA-N
Canonic Smiles
OC(=O)/C=C/C(F)(F)F
Isomeric Smiles
O=C(/C=C/C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
3.400535
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8030528
LogD (pH = 7.4)
-2.118771
Log P
1.2840093
Molar Refractivity
23.8974
Polarizability
8.280455
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
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Molecule Details
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References
Bioactivity
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