Molecule

ID:23488

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₄
Molecular Mass
330.37828
Exact Mass
330.15795719
Charge
0
InChI
InChI=1S/C18H22N2O4/c1-3-23-10-11-24-15-7-4-13(5-8-15)18(21)20-16-12-14(19)6-9-17(16)22-2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21)
InChIKey
ZSSJNRFFMPEYOJ-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1ccc(cc1)OCCOCC
Calculated Properties
JChem
Acid pKa
12.227257
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.1871185
LogD (pH = 7.4)
2.2301106
Log P
2.2306945
Molar Refractivity
95.0104
Polarizability
35.333828
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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