Molecule

ID:13807

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₂
Molecular Mass
232.27834
Exact Mass
232.12117776
Charge
0
InChI
InChI=1S/C13H16N2O2/c1-4-15-9(3)14-11-8-10(6-7-12(11)15)13(16)17-5-2/h6-8H,4-5H2,1-3H3
InChIKey
WFXZBJGTELYJQB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)nc(n2CC)C
Isomeric Smiles
c1(nc2c(n1CC)ccc(c2)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2173362
LogD (pH = 7.4)
2.3218129
Log P
2.3233376
Molar Refractivity
65.8284
Polarizability
26.275038
Polar Surface Area
44.12
Rotatable Bonds
4
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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