Molecule

ID:117336

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO₅
Molecular Mass
264.2059632
Exact Mass
264.04340161
Charge
0
InChI
InChI=1S/C13H9FO5/c14-9-3-1-8(2-4-9)6-18-12-7-19-11(13(16)17)5-10(12)15/h1-5,7H,6H2,(H,16,17)
InChIKey
SXYSVRFJFOVLDV-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)COc1coc(cc1=O)C(=O)O
Isomeric Smiles
c1c(occ(c1=O)OCc1ccc(F)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.4150798
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.000212
LogD (pH = 7.4)
-1.5625421
Log P
1.9519842
Molar Refractivity
64.7884
Polarizability
23.79668
Polar Surface Area
72.83
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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