Molecule

ID:136371

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉FO₃
Molecular Mass
208.1857632
Exact Mass
208.05357237
Charge
0
InChI
InChI=1S/C11H9FO3/c12-7-1-2-10-8(3-7)9(13)4-11(15-10)5-14-6-11/h1-3H,4-6H2
InChIKey
VZJRLUXSJKKUEM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)CC1(O2)COC1
Isomeric Smiles
c1cc2c(cc1F)C(=O)CC1(O2)COC1
Calculated Properties
JChem
Acid pKa
11.232605
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.2193003
LogD (pH = 7.4)
1.2192373
Log P
1.2193011
Molar Refractivity
49.915
Polarizability
19.25901
Polar Surface Area
35.53
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
References
Bioactivity
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