Molecule

ID:99998

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₃O₃
Molecular Mass
144.0493296
Exact Mass
144.00342862
Charge
0
InChI
InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m1/s1
InChIKey
BVKGUTLIPHZYCX-PVQJCKRUSA-N
Canonic Smiles
O[C@@H](C(F)(F)F)C(=O)O
Isomeric Smiles
FC(F)(F)[C@H](O)C(=O)O
Calculated Properties
JChem
Acid pKa
2.5113866
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.7527015
LogD (pH = 7.4)
-3.385317
Log P
0.12645876
Molar Refractivity
19.5413
Polarizability
7.63838
Polar Surface Area
57.53
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
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References
Bioactivity
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