Molecule

ID:22758

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-3-20-14-8-5-12(6-9-14)16(19)18-15-10-13(17)7-4-11(15)2/h4-10H,3,17H2,1-2H3,(H,18,19)
InChIKey
IKRJGDWAPWWNHU-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)c1ccc(cc1)OCC
Calculated Properties
JChem
Acid pKa
13.171571
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9275172
LogD (pH = 7.4)
2.948488
Log P
2.9487627
Molar Refractivity
82.5449
Polarizability
30.198492
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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