Molecule

ID:9655

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FN₂O₃
Molecular Mass
234.1832832
Exact Mass
234.04407031
Charge
0
InChI
InChI=1S/C11H7FN2O3/c12-8-3-5-9(6-4-8)17-11-10(14(15)16)2-1-7-13-11/h1-7H
InChIKey
CCUGBHTWDHSEOA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Oc1ncccc1[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1)Oc1ncccc1[N+](=O)[O-])F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9330041
LogD (pH = 7.4)
2.9330041
Log P
2.9330041
Molar Refractivity
57.9965
Polarizability
21.394726
Polar Surface Area
67.94
Rotatable Bonds
3
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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