Molecule

ID:97944

General Information
Structure
MolImage
Molecular Formula
C₄H₅FO₂
Molecular Mass
104.0797032
Exact Mass
104.02735762
Charge
0
InChI
InChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3
InChIKey
ZTZJVAOTIOAZGZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(=C)F
Isomeric Smiles
FC(=C)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.83978426
LogD (pH = 7.4)
0.83978426
Log P
0.83978426
Molar Refractivity
22.2634
Polarizability
8.4900675
Polar Surface Area
26.3
Rotatable Bonds
2
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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