Molecule

ID:23541

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-11(2)20-15-6-4-3-5-14(15)16(19)18-13-9-7-12(17)8-10-13/h3-11H,17H2,1-2H3,(H,18,19)
InChIKey
BEZYBGICSSLFCX-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1C(=O)Nc1ccc(cc1)N)C
Isomeric Smiles
C(=O)(c1c(OC(C)C)cccc1)Nc1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.243211
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8441617
LogD (pH = 7.4)
2.851812
Log P
2.8519163
Molar Refractivity
81.9225
Polarizability
30.278063
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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