Molecule

ID:96805

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₃N₂O₄
Molecular Mass
292.2112496
Exact Mass
292.0670915
Charge
0
InChI
InChI=1S/C11H11F3N2O4/c1-2-20-10(17)6-15-8-4-3-7(11(12,13)14)5-9(8)16(18)19/h3-5,15H,2,6H2,1H3
InChIKey
IPKGNONFSPKCGM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Isomeric Smiles
N(c1ccc(cc1[N+](=O)[O-])C(F)(F)F)CC(=O)OCC
Calculated Properties
JChem
Acid pKa
11.033844
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.8945408
LogD (pH = 7.4)
2.8944461
Log P
2.894542
Molar Refractivity
65.1525
Polarizability
22.941475
Polar Surface Area
84.15
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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