Molecule

ID:92536

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₃
Molecular Mass
220.22458
Exact Mass
220.08479225
Charge
0
InChI
InChI=1S/C11H12N2O3/c1-3-15-11(14)9-7-8(12-13(9)2)10-5-4-6-16-10/h4-7H,3H2,1-2H3
InChIKey
RMIOHJSPVQALON-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(nn1C)c1ccco1
Isomeric Smiles
o1cccc1c1nn(c(c1)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7747139
LogD (pH = 7.4)
1.7747142
Log P
1.7747142
Molar Refractivity
68.7679
Polarizability
23.005936
Polar Surface Area
57.26
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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