Molecule

ID:103420

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈N₂O₂
Molecular Mass
318.36912
Exact Mass
318.13682783
Charge
0
InChI
InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3
InChIKey
VOFUROIFQGPCGE-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc2c(c1)oc1c(n2)c2ccccc2c(=O)c1)CC
Isomeric Smiles
CCN(CC)c1ccc2nc3c(oc2c1)cc(=O)c1c3cccc1
Calculated Properties
JChem
Acid pKa
14.3109455
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.8231463
LogD (pH = 7.4)
3.8338141
Log P
3.833952
Molar Refractivity
99.0239
Polarizability
35.514828
Polar Surface Area
41.9
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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