Molecule

ID:22875

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-19-13-4-2-3-5-14(13)20-10-15(18)17-12-8-6-11(16)7-9-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKey
GXMRZQKBRXHCLH-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1OCC(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)COc1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
12.788893
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.7332721
LogD (pH = 7.4)
1.7411592
Log P
1.7412626
Molar Refractivity
78.0467
Polarizability
29.138817
Polar Surface Area
73.58
Rotatable Bonds
5
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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