Molecule

ID:94435

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁FO₄
Molecular Mass
226.2010432
Exact Mass
226.06413705
Charge
0
InChI
InChI=1S/C11H11FO4/c1-7(13)15-6-9-5-10(12)3-4-11(9)16-8(2)14/h3-5H,6H2,1-2H3
InChIKey
SLARRTIBTVWHPF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCc1cc(F)ccc1OC(=O)C
Isomeric Smiles
O(Cc1c(ccc(c1)F)OC(=O)C)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3969843
LogD (pH = 7.4)
1.3969843
Log P
1.3969843
Molar Refractivity
53.3742
Polarizability
20.825035
Polar Surface Area
52.6
Rotatable Bonds
5
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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