Molecule

ID:8834

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁F₃N₂O₃
Molecular Mass
276.2118496
Exact Mass
276.07217688
Charge
0
InChI
InChI=1S/C11H11F3N2O3/c12-11(13,14)8-1-2-9(10(7-8)16(17)18)15-3-5-19-6-4-15/h1-2,7H,3-6H2
InChIKey
UNDXPKDBFOOQFC-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1N1CCOCC1)C(F)(F)F
Isomeric Smiles
c1(cc(ccc1N1CCOCC1)C(F)(F)F)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6806219
LogD (pH = 7.4)
2.6806219
Log P
2.6806219
Molar Refractivity
62.8595
Polarizability
22.053957
Polar Surface Area
58.29
Rotatable Bonds
3
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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