Molecule

ID:23504

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-12(2)11-22-15-7-4-6-14(10-15)18(21)20-17-9-5-8-16(19)13(17)3/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKey
UUQVTRAYEKPJQB-UHFFFAOYSA-N
Canonic Smiles
CC(COc1cccc(c1)C(=O)Nc1cccc(c1C)N)C
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1cc(OCC(C)C)ccc1
Calculated Properties
JChem
Acid pKa
12.898958
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.8297484
LogD (pH = 7.4)
3.836174
Log P
3.836258
Molar Refractivity
91.5405
Polarizability
33.88667
Polar Surface Area
64.35
Rotatable Bonds
5
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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