Molecule

ID:9641

General Information
Structure
Molecular Formula
C₅H₇F₃O₂
Molecular Mass
156.1030896
Exact Mass
156.03981412
Charge
0
InChI
InChI=1S/C5H7F3O2/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10)
InChIKey
FFZMMBKGTNDVRX-UHFFFAOYSA-N
Canonic Smiles
CC(C(F)(F)F)CC(=O)O
Isomeric Smiles
O=C(CC(C(F)(F)F)C)O
Calculated Properties
JChem
Acid pKa
3.6898847
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3225067
LogD (pH = 7.4)
-1.8234482
Log P
1.4860722
Molar Refractivity
27.2781
Polarizability
10.25188
Polar Surface Area
37.3
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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