Molecule

ID:44550

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₄
Molecular Mass
266.29302
Exact Mass
266.12665707
Charge
0
InChI
InChI=1S/C13H18N2O4/c1-9-7-14(8-10(2)19-9)11-4-5-12(15(16)17)13(6-11)18-3/h4-6,9-10H,7-8H2,1-3H3
InChIKey
UTCCRWZNURPJQZ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1[N+](=O)[O-])N1CC(C)OC(C1)C
Isomeric Smiles
c1cc(cc(c1[N+](=O)[O-])OC)N1CC(OC(C1)C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.4782522
LogD (pH = 7.4)
2.4782522
Log P
2.4782522
Molar Refractivity
72.1866
Polarizability
26.906326
Polar Surface Area
67.52
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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