Molecule

ID:131774

General Information
Structure
MolImage
Molecular Formula
C₃H₇FO₂
Molecular Mass
94.0848832
Exact Mass
94.04300768
Charge
0
InChI
InChI=1S/C3H7FO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
InChIKey
PQDNJBQKAXAXBQ-UHFFFAOYSA-N
Canonic Smiles
OCC(CF)O
Isomeric Smiles
C(C(CF)O)O
Calculated Properties
JChem
Acid pKa
13.3555355
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.9479222
LogD (pH = 7.4)
-0.9479227
Log P
-0.9479222
Molar Refractivity
18.824
Polarizability
7.413317
Polar Surface Area
40.46
Rotatable Bonds
2
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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