Molecule

ID:97409

General Information
Structure
Molecular Formula
C₃H₃F₃O₄
Molecular Mass
160.0487296
Exact Mass
159.99834324
Charge
0
InChI
InChI=1S/C3H3F3O4/c4-2(5,6)1(7)3(8,9)10/h8-10H
InChIKey
PAAGNFWOLAEESZ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)C(O)(O)O
Isomeric Smiles
O=C(C(O)(O)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
9.270784
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.02031511
LogD (pH = 7.4)
-0.026045263
Log P
-0.02024157
Molar Refractivity
22.4371
Polarizability
8.549543
Polar Surface Area
77.76
Rotatable Bonds
2
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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