Molecule

ID:98992

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₃O₃
Molecular Mass
158.0759096
Exact Mass
158.01907868
Charge
0
InChI
InChI=1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)
InChIKey
ASQMUMZEQLWJRC-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)CC(=O)O
Isomeric Smiles
OC(=O)CC(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
3.3585994
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9158262
LogD (pH = 7.4)
-3.2017713
Log P
0.21128228
Molar Refractivity
24.1656
Polarizability
9.312785
Polar Surface Area
57.53
Rotatable Bonds
3
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
References
Bioactivity
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