Molecule

ID:9288

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O₃
Molecular Mass
158.0759096
Exact Mass
158.01907868
Charge
0
InChI
InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)
InChIKey
CTGJACFEVDCYMC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(F)(F)F)(O)C
Isomeric Smiles
O=C(C(O)(C)C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
2.7643602
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1124742
LogD (pH = 7.4)
-2.937756
Log P
0.55922467
Molar Refractivity
24.2546
Polarizability
9.312978
Polar Surface Area
57.53
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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