Molecule

ID:99947

General Information
Structure
MolImage
Molecular Formula
C₈H₉FN₂O₂
Molecular Mass
184.1676632
Exact Mass
184.06480576
Charge
0
InChI
InChI=1S/C8H9FN2O2/c1-10(2)7-4-3-6(9)5-8(7)11(12)13/h3-5H,1-2H3
InChIKey
RGCUVPLVTHHXMT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)[N+](=O)[O-])N(C)C
Isomeric Smiles
N(c1c(cc(cc1)F)[N+](=O)[O-])(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1639678
LogD (pH = 7.4)
2.1639757
Log P
2.1639757
Molar Refractivity
48.0277
Polarizability
16.782831
Polar Surface Area
49.06
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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