Molecule

ID:40480

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₅
Molecular Mass
252.22338
Exact Mass
252.07462149
Charge
0
InChI
InChI=1S/C11H12N2O5/c1-2-18-10(14)7-12-11(15)8-3-5-9(6-4-8)13(16)17/h3-6H,2,7H2,1H3,(H,12,15)
InChIKey
FGQTXDKZTAZFRS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
C(=O)(NCC(=O)OCC)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
13.794568
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9682317
LogD (pH = 7.4)
0.9682315
Log P
0.9682317
Molar Refractivity
62.9601
Polarizability
23.300608
Polar Surface Area
101.22
Rotatable Bonds
6
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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