Molecule

ID:11297

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₂O₂
Molecular Mass
294.34772
Exact Mass
294.13682783
Charge
0
InChI
InChI=1S/C18H18N2O2/c1-22-16-8-7-14-9-15(18(21)20-17(14)10-16)12-19-11-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,20,21)
InChIKey
NDKHGKBLIUQHRS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)[nH]c(=O)c(c2)CNCc1ccccc1
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)ccc(c2)OC)CNCc1ccccc1
Calculated Properties
JChem
Acid pKa
13.198955
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.13631344
LogD (pH = 7.4)
1.5614946
Log P
2.604422
Molar Refractivity
88.9189
Polarizability
33.478947
Polar Surface Area
50.36
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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