Molecule

ID:46108

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₃N₂O₃
Molecular Mass
262.1852696
Exact Mass
262.05652682
Charge
0
InChI
InChI=1S/C10H9F3N2O3/c11-10(12,13)6-1-2-9(8(3-6)15(16)17)18-7-4-14-5-7/h1-3,7,14H,4-5H2
InChIKey
AQKLDHYNULJRLA-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(ccc1OC1CNC1)C(F)(F)F
Isomeric Smiles
c1([N+](=O)[O-])cc(C(F)(F)F)ccc1OC1CNC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6173949
LogD (pH = 7.4)
1.0684302
Log P
2.1572459
Molar Refractivity
56.2452
Polarizability
20.58977
Polar Surface Area
67.08
Rotatable Bonds
4
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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