Molecule

ID:22866

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-3-21-14-7-5-4-6-12(14)16(19)18-13-10-11(17)8-9-15(13)20-2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKey
BRABCZJNAMUTOG-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(c1c(OCC)cccc1)Nc1cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.6324005
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.2315369
LogD (pH = 7.4)
2.27703
Log P
2.2776701
Molar Refractivity
83.9669
Polarizability
30.954973
Polar Surface Area
73.58
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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