Molecule

ID:22726

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-11-3-6-13(17)10-15(11)18-16(19)9-12-4-7-14(20-2)8-5-12/h3-8,10H,9,17H2,1-2H3,(H,18,19)
InChIKey
NJILFKKRLKIAHW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC(=O)Nc1cc(N)ccc1C
Isomeric Smiles
c1(NC(=O)Cc2ccc(cc2)OC)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
14.013687
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5427632
LogD (pH = 7.4)
2.5717378
Log P
2.5721202
Molar Refractivity
81.8477
Polarizability
30.222008
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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