Molecule
ID:121517
General Information
Molecular Formula
C₁₅H₁₂FNO₄
Molecular Mass
289.2584832
Exact Mass
289.07503609
Charge
0
InChI
InChI=1S/C15H12FNO4/c16-8-3-1-2-4-9(8)17-7-15-6-5-10(21-15)11(14(19)20)12(15)13(17)18/h1-6,10-12H,7H2,(H,19,20)
InChIKey
OBEJYZKIHMQPDP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1C2C=CC3(C1C(=O)N(C3)c1ccccc1F)O2
Isomeric Smiles
C12C(=O)N(CC31OC(C2C(=O)O)C=C3)c1c(F)cccc1
Calculated Properties
JChem
Acid pKa
3.8456295
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.70194954
LogD (pH = 7.4)
-2.2846425
Log P
0.9561894
Molar Refractivity
69.9455
Polarizability
26.683155
Polar Surface Area
66.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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