Molecule

ID:23037

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-11-9-13(17)5-8-15(11)18-16(19)10-12-3-6-14(20-2)7-4-12/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKey
KLGJXTUNUKPHRX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC(=O)Nc1ccc(cc1C)N
Isomeric Smiles
C(=O)(Nc1c(cc(N)cc1)C)Cc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
15.902549
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5521207
LogD (pH = 7.4)
2.5718625
Log P
2.5721202
Molar Refractivity
81.8477
Polarizability
30.22179
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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