Molecule

ID:22980

General Information
Structure
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-3-4-12-22-17-11-6-5-8-14(17)18(21)20-16-10-7-9-15(19)13(16)2/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKey
HGZKTYKHCQYYLW-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1C(=O)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(c1c(OCCCC)cccc1)Nc1c(c(N)ccc1)C
Calculated Properties
JChem
Acid pKa
12.617216
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.9088988
LogD (pH = 7.4)
3.915763
Log P
3.9158537
Molar Refractivity
91.6699
Polarizability
33.888794
Polar Surface Area
64.35
Rotatable Bonds
6
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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