Molecule

ID:77927

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₈N₂O
Molecular Mass
338.40182
Exact Mass
338.14191321
Charge
0
InChI
InChI=1S/C23H18N2O/c26-18-22-24-16-17-25(22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKey
QYVILFCVZUELEG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
n1(c(ncc1)C=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.599291
LogD (pH = 7.4)
5.613956
Log P
5.614147
Molar Refractivity
105.0077
Polarizability
39.625687
Polar Surface Area
34.89
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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