Molecule

ID:96585

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₂N₂O₄
Molecular Mass
308.2370064
Exact Mass
308.06086325
Charge
0
InChI
InChI=1S/C14H10F2N2O4/c1-22-9-4-2-8(3-5-9)17-14(19)12-10(15)6-7-11(13(12)16)18(20)21/h2-7H,1H3,(H,17,19)
InChIKey
FCDCFRNDPGLCQZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)c1c(F)ccc(c1F)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1F)C(=O)Nc1ccc(cc1)OC)F)[O-]
Calculated Properties
JChem
Acid pKa
10.1324835
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.1328378
LogD (pH = 7.4)
3.1320841
Log P
3.1328473
Molar Refractivity
75.8122
Polarizability
26.887253
Polar Surface Area
84.15
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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