Molecule

ID:41978

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂FNO₄
Molecular Mass
289.2584832
Exact Mass
289.07503609
Charge
0
InChI
InChI=1S/C15H12FNO4/c1-10(18)12-4-7-15(14(16)8-12)21-9-11-2-5-13(6-3-11)17(19)20/h2-8H,9H2,1H3
InChIKey
GZXXNVJLTKMPLI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(c(c1)F)OCc1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
c1(cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])C(=O)C)F
Calculated Properties
JChem
Acid pKa
16.051708
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1803813
LogD (pH = 7.4)
3.1803813
Log P
3.1803813
Molar Refractivity
75.0777
Polarizability
27.760765
Polar Surface Area
72.12
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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