Molecule

ID:9935

General Information
Structure
MolImage
Molecular Formula
C₆H₉F₃O₃
Molecular Mass
186.1290696
Exact Mass
186.05037881
Charge
0
InChI
InChI=1S/C6H9F3O3/c1-2-12-5(11)3-4(10)6(7,8)9/h4,10H,2-3H2,1H3
InChIKey
ZWEDFBKLJILTMC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C(F)(F)F)O
Isomeric Smiles
O(CC)C(=O)CC(O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.1448765
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7139833
LogD (pH = 7.4)
0.7139062
Log P
0.7139843
Molar Refractivity
33.6833
Polarizability
12.952986
Polar Surface Area
46.53
Rotatable Bonds
5
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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