Molecule

ID:40513

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆FNO₄
Molecular Mass
293.2902432
Exact Mass
293.10633622
Charge
0
InChI
InChI=1S/C15H16FNO4/c1-9-12(10-6-4-5-7-11(10)16)13(18)17(8-21-9)15(2,3)14(19)20/h4-7H,8H2,1-3H3,(H,19,20)
InChIKey
VCYDHNHROVDGFN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(N1COC(=C(C1=O)c1ccccc1F)C)(C)C
Isomeric Smiles
N1(C(=O)C(=C(OC1)C)c1c(F)cccc1)C(C(=O)O)(C)C
Calculated Properties
JChem
Acid pKa
3.6435192
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.1435642
LogD (pH = 7.4)
-1.3303888
Log P
1.9969903
Molar Refractivity
74.2558
Polarizability
28.167511
Polar Surface Area
66.84
Rotatable Bonds
3
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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