Molecule

ID:88468

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈N₂O₂
Molecular Mass
306.35842
Exact Mass
306.13682783
Charge
0
InChI
InChI=1S/C19H18N2O2/c1-22-16-13-17(23-2)21-19(20-16)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18H,1-2H3
InChIKey
YYKORXFIRGQXRT-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(cc(nc1C(c1ccccc1)c1ccccc1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.9150677
LogD (pH = 7.4)
4.915229
Log P
4.9152308
Molar Refractivity
90.2915
Polarizability
34.527412
Polar Surface Area
44.24
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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