Molecule

ID:22903

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-19(2,3)14-7-5-6-8-16(14)24-12-18(22)21-15-11-13(20)9-10-17(15)23-4/h5-11H,12,20H2,1-4H3,(H,21,22)
InChIKey
JIXCOCQEVCUGOG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)COc1ccccc1C(C)(C)C)N
Isomeric Smiles
c1(NC(=O)COc2c(C(C)(C)C)cccc2)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.566092
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.238719
LogD (pH = 7.4)
3.2856572
Log P
3.2863188
Molar Refractivity
96.7126
Polarizability
36.42349
Polar Surface Area
73.58
Rotatable Bonds
6
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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