Molecule

ID:97017

General Information
Structure
Molecular Formula
C₅H₇FO₂
Molecular Mass
118.1062832
Exact Mass
118.04300768
Charge
0
InChI
InChI=1S/C5H7FO2/c1-2-5(7)8-4-3-6/h2H,1,3-4H2
InChIKey
DUCAVBJYSSNCJG-UHFFFAOYSA-N
Canonic Smiles
FCCOC(=O)C=C
Isomeric Smiles
O(CCF)C(=O)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1131644
LogD (pH = 7.4)
1.1131644
Log P
1.1131644
Molar Refractivity
26.6607
Polarizability
10.278904
Polar Surface Area
26.3
Rotatable Bonds
4
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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