Molecule

ID:13746

General Information
Structure
MolImage
Molecular Formula
C₃H₅FO₂
Molecular Mass
92.0690032
Exact Mass
92.02735762
Charge
0
InChI
InChI=1S/C3H5FO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
InChIKey
ZVZPFTCEXIGSHM-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)F
Isomeric Smiles
C(=O)(C(F)C)O
Calculated Properties
JChem
Acid pKa
3.4925623
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5795618
LogD (pH = 7.4)
-2.958331
Log P
0.41926226
Molar Refractivity
17.1477
Polarizability
6.7484236
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
References
Bioactivity
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