Molecule

ID:22876

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₃
Molecular Mass
314.37888
Exact Mass
314.16304257
Charge
0
InChI
InChI=1S/C18H22N2O3/c1-3-4-11-23-16-8-6-5-7-14(16)18(21)20-15-12-13(19)9-10-17(15)22-2/h5-10,12H,3-4,11,19H2,1-2H3,(H,20,21)
InChIKey
RGROSZFUANANKL-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC
Isomeric Smiles
C(=O)(c1c(OCCCC)cccc1)Nc1cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
11.632025
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.198631
LogD (pH = 7.4)
3.244121
Log P
3.2447612
Molar Refractivity
93.0919
Polarizability
34.63668
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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