Molecule

ID:98515

General Information
Structure
MolImage
Molecular Formula
C₅H₇F₃O₃
Molecular Mass
172.1024896
Exact Mass
172.03472874
Charge
0
InChI
InChI=1S/C5H7F3O3/c1-2-11-4(10)3(9)5(6,7)8/h3,9H,2H2,1H3
InChIKey
SWCOLXVCLKJGEA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)O
Isomeric Smiles
O=C(C(C(F)(F)F)O)OCC
Calculated Properties
JChem
Acid pKa
9.081155
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.629047
LogD (pH = 7.4)
0.6202132
Log P
0.62916076
Molar Refractivity
29.059
Polarizability
11.217867
Polar Surface Area
46.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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