Molecule

ID:21959

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃FN₂O₃
Molecular Mass
240.2309232
Exact Mass
240.09102051
Charge
0
InChI
InChI=1S/C11H13FN2O3/c12-10-7-8(14(16)17)1-2-11(10)13-5-3-9(15)4-6-13/h1-2,7,9,15H,3-6H2
InChIKey
OHJPBJCNSVQUJC-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)c1ccc(cc1F)[N+](=O)[O-]
Isomeric Smiles
c1c(ccc(c1F)N1CCC(CC1)O)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
15.177858
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4820354
LogD (pH = 7.4)
1.4820354
Log P
1.4820354
Molar Refractivity
61.752
Polarizability
22.2204
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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