Molecule

ID:22832

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-20-13-6-3-11(4-7-13)9-16(19)18-14-10-12(17)5-8-15(14)21-2/h3-8,10H,9,17H2,1-2H3,(H,18,19)
InChIKey
ZIYSWSAGEHPVDO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
c1(NC(=O)Cc2ccc(cc2)OC)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
12.268609
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.8429803
LogD (pH = 7.4)
1.9002402
Log P
1.9010276
Molar Refractivity
83.2697
Polarizability
30.975508
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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