Molecule

ID:11562

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈N₂O₂
Molecular Mass
318.36912
Exact Mass
318.13682783
Charge
0
InChI
InChI=1S/C20H18N2O2/c1-14-17(13-23)16-7-3-5-9-19(16)22(14)12-20(24)21-11-10-15-6-2-4-8-18(15)21/h2-9,13H,10-12H2,1H3
InChIKey
XMCBRHYERQRUGY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2ccccc2n(c1C)CC(=O)N1CCc2c1cccc2
Isomeric Smiles
C(=O)(Cn1c(c(c2c1cccc2)C=O)C)N1c2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0239873
LogD (pH = 7.4)
3.0239873
Log P
3.0239873
Molar Refractivity
94.5623
Polarizability
36.64167
Polar Surface Area
42.31
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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