Molecule

ID:54248

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)12-9-14-15(10(12)2)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKey
XYIOIOHRWLZCDM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1C)c1ccccc1
Isomeric Smiles
c1(C(=O)OCC)cnn(c1C)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6188974
LogD (pH = 7.4)
2.6189103
Log P
2.6189106
Molar Refractivity
66.3433
Polarizability
25.43511
Polar Surface Area
44.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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