Molecule

ID:22047

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂O₃
Molecular Mass
226.2043432
Exact Mass
226.07537044
Charge
0
InChI
InChI=1S/C10H11FN2O3/c11-8-1-2-9(10(7-8)13(14)15)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKey
XEVFYVWDTJTEHQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Isomeric Smiles
c1c(ccc(c1[N+](=O)[O-])N1CCOCC1)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9454753
LogD (pH = 7.4)
1.9454753
Log P
1.9454753
Molar Refractivity
57.1022
Polarizability
20.472733
Polar Surface Area
58.29
Rotatable Bonds
2
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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