Molecule

ID:92940

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₂
Molecular Mass
230.26246
Exact Mass
230.1055277
Charge
0
InChI
InChI=1S/C13H14N2O2/c1-3-17-13(16)11-9-12(15(2)14-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChIKey
KQECZAANWUVBES-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c(c1)c1ccccc1)C
Isomeric Smiles
n1c(cc(n1C)c1ccccc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5144672
LogD (pH = 7.4)
2.5144677
Log P
2.5144677
Molar Refractivity
76.377
Polarizability
26.119553
Polar Surface Area
44.12
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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