Molecule

ID:22066

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O₃
Molecular Mass
240.2309232
Exact Mass
240.09102051
Charge
0
InChI
InChI=1S/C11H13FN2O3/c12-8-1-2-10(11(7-8)14(16)17)13-5-3-9(15)4-6-13/h1-2,7,9,15H,3-6H2
InChIKey
UOPYYFRFTXJMNM-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)c1ccc(cc1[N+](=O)[O-])F
Isomeric Smiles
c1(ccc(c(c1)[N+](=O)[O-])N1CCC(CC1)O)F
Calculated Properties
JChem
Acid pKa
15.177859
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4820236
LogD (pH = 7.4)
1.4820353
Log P
1.4820354
Molar Refractivity
61.752
Polarizability
22.222048
Polar Surface Area
69.29
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
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Molecule Details
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References
Bioactivity
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