Molecule

ID:23397

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-11(2)20-15-9-3-12(4-10-15)16(19)18-14-7-5-13(17)6-8-14/h3-11H,17H2,1-2H3,(H,18,19)
InChIKey
WABWGDREBSCBGB-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)C(=O)Nc1ccc(cc1)N)C
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)c1ccc(OC(C)C)cc1
Calculated Properties
JChem
Acid pKa
12.843934
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8429713
LogD (pH = 7.4)
2.8518012
Log P
2.8519163
Molar Refractivity
81.9225
Polarizability
30.275377
Polar Surface Area
64.35
Rotatable Bonds
4
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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