Molecule

ID:10602

General Information
Structure
MolImage
Molecular Formula
C₃H₃FO₂
Molecular Mass
90.0531232
Exact Mass
90.01170756
Charge
0
InChI
InChI=1S/C3H3FO2/c1-2(4)3(5)6/h1H2,(H,5,6)
InChIKey
TYCFGHUTYSLISP-UHFFFAOYSA-N
Canonic Smiles
FC(=C)C(=O)O
Isomeric Smiles
C=C(C(=O)O)F
Calculated Properties
JChem
Acid pKa
2.9089627
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0842278
LogD (pH = 7.4)
-3.0238945
Log P
0.46055686
Molar Refractivity
17.4943
Polarizability
6.4970913
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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