Molecule

ID:28555

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀FNO₄
Molecular Mass
251.2105032
Exact Mass
251.05938603
Charge
0
InChI
InChI=1S/C12H10FNO4/c1-7-8(11(12(15)16)14-18-7)6-17-10-5-3-2-4-9(10)13/h2-5H,6H2,1H3,(H,15,16)
InChIKey
YFIHKEZJIPMXNX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1OCc1c(C)onc1C(=O)O
Isomeric Smiles
c1(c(c(on1)C)COc1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.8695555
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.65523684
LogD (pH = 7.4)
-0.9387645
Log P
2.2902896
Molar Refractivity
60.8261
Polarizability
22.37319
Polar Surface Area
72.56
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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