Molecule

ID:23489

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₄
Molecular Mass
330.37828
Exact Mass
330.15795719
Charge
0
InChI
InChI=1S/C18H22N2O4/c1-3-23-10-11-24-16-7-5-4-6-14(16)18(21)20-15-12-13(19)8-9-17(15)22-2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21)
InChIKey
NNOCBWOYBLZJRT-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(c1c(OCCOCC)cccc1)Nc1cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.6288805
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.184591
LogD (pH = 7.4)
2.2300546
Log P
2.2306945
Molar Refractivity
95.0104
Polarizability
35.33646
Polar Surface Area
82.81
Rotatable Bonds
8
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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