Molecule

ID:11560

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-13-16(12-21)15-9-5-6-10-17(15)20(13)11-18(22)19-14-7-3-2-4-8-14/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H,19,22)
InChIKey
PKIFNLISLHGLJC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC(=O)NC1CCCCC1
Isomeric Smiles
c1ccc2c(c1)c(c(n2CC(=O)NC1CCCCC1)C)C=O
Calculated Properties
JChem
Acid pKa
15.505739
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9017348
LogD (pH = 7.4)
2.9017348
Log P
2.9017348
Molar Refractivity
87.5926
Polarizability
34.416042
Polar Surface Area
51.1
Rotatable Bonds
4
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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