Molecule

ID:22889

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₃
Molecular Mass
328.40546
Exact Mass
328.17869264
Charge
0
InChI
InChI=1S/C19H24N2O3/c1-12(2)14-5-8-16(9-6-14)24-13(3)19(22)21-17-11-15(20)7-10-18(17)23-4/h5-13H,20H2,1-4H3,(H,21,22)
InChIKey
UCCXSUDJIBGBMJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)C(Oc1ccc(cc1)C(C)C)C)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)C(Oc1ccc(cc1)C(C)C)C
Calculated Properties
JChem
Acid pKa
11.510329
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.5019212
LogD (pH = 7.4)
3.5542927
Log P
3.5550358
Molar Refractivity
96.7314
Polarizability
36.422565
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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