Molecule

ID:41291

General Information
Structure
Molecular Formula
C₁₈H₁₈N₂O₂
Molecular Mass
294.34772
Exact Mass
294.13682783
Charge
0
InChI
InChI=1S/C18H18N2O2/c1-4-22-18(21)16-15(14-8-6-5-7-9-14)11-20-13(3)10-12(2)19-17(16)20/h5-11H,4H2,1-3H3
InChIKey
AROQIPUWZFGQRH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(cn2c1nc(C)cc2C)c1ccccc1
Isomeric Smiles
c12c(c(cn1c(cc(n2)C)C)c1ccccc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.097918
LogD (pH = 7.4)
3.0979903
Log P
3.0979912
Molar Refractivity
87.5877
Polarizability
34.056915
Polar Surface Area
43.6
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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