Molecule

ID:44026

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₅
Molecular Mass
293.1960096
Exact Mass
293.05110709
Charge
0
InChI
InChI=1S/C11H10F3NO5/c1-19-9-3-6(4-10(16)20-2)8(15(17)18)5-7(9)11(12,13)14/h3,5H,4H2,1-2H3
InChIKey
OIRXXTHJTRDMJY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cc(OC)c(cc1[N+](=O)[O-])C(F)(F)F
Isomeric Smiles
c1(C(F)(F)F)cc([N+](=O)[O-])c(cc1OC)CC(=O)OC
Calculated Properties
JChem
Acid pKa
19.180376
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4170496
LogD (pH = 7.4)
2.4170496
Log P
2.4170496
Molar Refractivity
61.8963
Polarizability
22.539516
Polar Surface Area
81.35
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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