Molecule

ID:22878

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-13(2)10-11-24-17-7-5-4-6-15(17)19(22)21-16-12-14(20)8-9-18(16)23-3/h4-9,12-13H,10-11,20H2,1-3H3,(H,21,22)
InChIKey
UIKBAPLDOYFKNO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)c1ccccc1OCCC(C)C)N
Isomeric Smiles
C(=O)(c1c(OCCC(C)C)cccc1)Nc1cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.632012
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.4856503
LogD (pH = 7.4)
3.53114
Log P
3.5317802
Molar Refractivity
97.6405
Polarizability
36.478386
Polar Surface Area
73.58
Rotatable Bonds
7
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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