Molecule

ID:123195

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈N₂O₂
Molecular Mass
318.36912
Exact Mass
318.13682783
Charge
0
InChI
InChI=1S/C20H18N2O2/c23-20(24)19-15-8-4-5-9-17(15)21-18-10-11-22(13-16(18)19)12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24)
InChIKey
WWVSDQYFRSUJAZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c2CN(CCc2nc2c1cccc2)Cc1ccccc1
Isomeric Smiles
c12c(c3c(nc1CCN(C2)Cc1ccccc1)cccc3)C(=O)O
Calculated Properties
JChem
Acid pKa
3.09682
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.84801453
LogD (pH = 7.4)
0.4638185
Log P
0.85199976
Molar Refractivity
93.1226
Polarizability
36.97948
Polar Surface Area
53.43
Rotatable Bonds
3
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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