Molecule

ID:23097

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-11(21-15-9-7-14(20-2)8-10-15)16(19)18-13-5-3-12(17)4-6-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKey
IKQMETUENBGCCY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC(C(=O)Nc1ccc(cc1)N)C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)C(Oc1ccc(cc1)OC)C
Calculated Properties
JChem
Acid pKa
13.339773
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.3007948
LogD (pH = 7.4)
2.3099089
Log P
2.310027
Molar Refractivity
82.5406
Polarizability
30.976105
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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