Molecule

ID:14592

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O
Molecular Mass
236.26858
Exact Mass
236.09496301
Charge
0
InChI
InChI=1S/C15H12N2O/c18-11-15-16-13-8-4-5-9-14(13)17(15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKey
FLSACHQTKKDWED-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc2c(n1Cc1ccccc1)cccc2
Isomeric Smiles
c12n(c(nc1cccc2)C=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5848193
LogD (pH = 7.4)
3.5863733
Log P
3.586393
Molar Refractivity
70.5258
Polarizability
27.954235
Polar Surface Area
34.89
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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