Molecule

ID:21960

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅FN₂O₄
Molecular Mass
282.2676032
Exact Mass
282.10158519
Charge
0
InChI
InChI=1S/C13H15FN2O4/c14-11-9-10(16(17)18)1-2-12(11)15-5-3-13(4-6-15)19-7-8-20-13/h1-2,9H,3-8H2
InChIKey
XAJNIEIAXJLLRC-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(ccc1N1CCC2(CC1)OCCO2)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1F)N1CCC2(CC1)OCCO2)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.8277662
LogD (pH = 7.4)
2.8277662
Log P
2.8277662
Molar Refractivity
69.9255
Polarizability
25.977034
Polar Surface Area
67.52
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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