Molecule

ID:25929

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c1-22-17-9-7-15(8-10-17)18-16(13-21)12-20(19-18)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3
InChIKey
OJVQNMHGTRCERS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccc(cc1)OC)Cc1ccccc1
Isomeric Smiles
c1(c(nn(c1)Cc1ccccc1)c1ccc(cc1)OC)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.713458
LogD (pH = 7.4)
3.7134855
Log P
3.7134857
Molar Refractivity
97.3854
Polarizability
33.88413
Polar Surface Area
44.12
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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