Molecule

ID:22651

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₃
Molecular Mass
286.32572
Exact Mass
286.13174245
Charge
0
InChI
InChI=1S/C16H18N2O3/c1-11(21-15-9-4-3-8-14(15)20-2)16(19)18-13-7-5-6-12(17)10-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKey
WSGRQBTZQHVUJQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OC(C(=O)Nc1cccc(c1)N)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1c(OC)cccc1)C
Calculated Properties
JChem
Acid pKa
12.715065
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.3020706
LogD (pH = 7.4)
2.3099236
Log P
2.310027
Molar Refractivity
82.5406
Polarizability
30.979652
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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