Molecule

ID:23503

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-3-22-10-11-23-15-7-4-6-14(12-15)18(21)20-17-9-5-8-16(19)13(17)2/h4-9,12H,3,10-11,19H2,1-2H3,(H,20,21)
InChIKey
KLQUEVSHHZUJTP-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1cc(OCCOCC)ccc1
Calculated Properties
JChem
Acid pKa
12.898136
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.8952818
LogD (pH = 7.4)
2.9017034
Log P
2.9017873
Molar Refractivity
93.5884
Polarizability
34.57414
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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