Molecule

ID:101757

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉FO₃
Molecular Mass
220.1964632
Exact Mass
220.05357237
Charge
0
InChI
InChI=1S/C12H9FO3/c1-7-10(12(14)15)6-11(16-7)8-2-4-9(13)5-3-8/h2-6H,1H3,(H,14,15)
InChIKey
NGJWATPYRGMGHI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1oc(c(c1)C(=O)O)C
Isomeric Smiles
c1(cc(oc1C)c1ccc(cc1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.127208
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2927613
LogD (pH = 7.4)
-0.40107468
Log P
2.680564
Molar Refractivity
56.2074
Polarizability
21.91364
Polar Surface Area
50.44
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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