Molecule

ID:22820

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₂
Molecular Mass
256.29974
Exact Mass
256.12117776
Charge
0
InChI
InChI=1S/C15H16N2O2/c1-19-14-8-2-11(3-9-14)10-15(18)17-13-6-4-12(16)5-7-13/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
YSQQSEIITXAOFS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)Cc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
15.600715
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0467808
LogD (pH = 7.4)
2.0585468
Log P
2.058699
Molar Refractivity
76.8065
Polarizability
28.456112
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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