Molecule

ID:53651

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁FN₂O₄
Molecular Mass
242.2037432
Exact Mass
242.07028506
Charge
0
InChI
InChI=1S/C10H11FN2O4/c1-6-3-8(12(2)5-10(14)15)9(13(16)17)4-7(6)11/h3-4H,5H2,1-2H3,(H,14,15)
InChIKey
ASQGVVDRJGPXDU-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(F)c(cc1N(CC(=O)O)C)C
Isomeric Smiles
c1([N+](=O)[O-])c(N(CC(=O)O)C)cc(c(c1)F)C
Calculated Properties
JChem
Acid pKa
3.2319713
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.09182695
LogD (pH = 7.4)
-1.2842656
Log P
2.1553805
Molar Refractivity
59.1535
Polarizability
21.039387
Polar Surface Area
86.36
Rotatable Bonds
4
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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