Molecule

ID:99869

General Information
Structure
MolImage
Molecular Formula
C₆H₃FO₂
Molecular Mass
126.0852232
Exact Mass
126.01170756
Charge
0
InChI
InChI=1S/C6H3FO2/c7-5-3-4(8)1-2-6(5)9/h1-3H
InChIKey
XHKUTQNVGAHLPK-UHFFFAOYSA-N
Canonic Smiles
O=C1C=CC(=O)C(=C1)F
Isomeric Smiles
O=C1C(=CC(=O)C=C1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9517234
LogD (pH = 7.4)
0.9517234
Log P
0.9517234
Molar Refractivity
31.2317
Polarizability
10.552209
Polar Surface Area
34.14
Rotatable Bonds
0
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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