Molecule
ID:99192
General Information
Molecular Formula
C₃H₃FO₃
Molecular Mass
106.0525232
Exact Mass
106.00662218
Charge
0
InChI
InChI=1S/C3H3FO3/c4-2-1-6-3(5)7-2/h2H,1H2
InChIKey
SBLRHMKNNHXPHG-UHFFFAOYSA-N
Canonic Smiles
FC1COC(=O)O1
Isomeric Smiles
O1C(COC1=O)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.76642144
LogD (pH = 7.4)
0.76642144
Log P
0.76642144
Molar Refractivity
16.7164
Polarizability
7.117248
Polar Surface Area
35.53
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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