Molecule

ID:10640

General Information
Structure
MolImage
Molecular Formula
C₄H₇FO₂
Molecular Mass
106.0955832
Exact Mass
106.04300768
Charge
0
InChI
InChI=1S/C4H7FO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)
InChIKey
NZDOWZQRNZLBOY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(F)(C)C
Isomeric Smiles
CC(C(=O)O)(F)C
Calculated Properties
JChem
Acid pKa
3.7330973
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9148011
LogD (pH = 7.4)
-2.4398065
Log P
0.85202813
Molar Refractivity
21.861
Polarizability
8.51935
Polar Surface Area
37.3
Rotatable Bonds
1
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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