Molecule

ID:22688

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-13(2)9-10-22-17-8-3-5-14(11-17)18(21)20-16-7-4-6-15(19)12-16/h3-8,11-13H,9-10,19H2,1-2H3,(H,20,21)
InChIKey
NDOASCMGMWXBCU-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1cccc(c1)C(=O)Nc1cccc(c1)N)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)c1cc(OCCC(C)C)ccc1
Calculated Properties
JChem
Acid pKa
12.789593
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.6817002
LogD (pH = 7.4)
3.6893513
Log P
3.6894515
Molar Refractivity
91.1773
Polarizability
33.964375
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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