Molecule

ID:41207

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₄
Molecular Mass
236.22398
Exact Mass
236.07970687
Charge
0
InChI
InChI=1S/C11H12N2O4/c14-8-9-1-2-10(11(7-9)13(15)16)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2
InChIKey
LIHKXKQSXJAHBN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCOCC1
Isomeric Smiles
c1(c(N2CCOCC2)ccc(c1)C=O)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.5152757
LogD (pH = 7.4)
1.5152757
Log P
1.5152757
Molar Refractivity
63.4698
Polarizability
22.63786
Polar Surface Area
75.36
Rotatable Bonds
3
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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