Molecule

ID:23511

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-3-22-10-11-23-17-7-5-4-6-15(17)18(21)20-16-9-8-14(19)12-13(16)2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21)
InChIKey
RDLJSBWVJTZQJS-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1C(=O)Nc1ccc(cc1C)N
Isomeric Smiles
C(=O)(c1c(OCCOCC)cccc1)Nc1c(cc(N)cc1)C
Calculated Properties
JChem
Acid pKa
12.34944
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8886192
LogD (pH = 7.4)
2.9016142
Log P
2.9017873
Molar Refractivity
93.5884
Polarizability
34.575115
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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