Molecule

ID:62483

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-4-19-15-6-5-13(10-18)8-14(15)9-17-12(3)7-11(2)16-17/h5-8,10H,4,9H2,1-3H3
InChIKey
ZAUQGVAVTOOIQY-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1Cn1nc(cc1C)C)C=O
Isomeric Smiles
n1(nc(cc1C)C)Cc1c(ccc(c1)C=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3653872
LogD (pH = 7.4)
2.3681147
Log P
2.3681495
Molar Refractivity
87.111
Polarizability
28.264761
Polar Surface Area
44.12
Rotatable Bonds
5
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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