Molecule

ID:35277

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O
Molecular Mass
236.26858
Exact Mass
236.09496301
Charge
0
InChI
InChI=1S/C15H12N2O/c1-11-5-4-6-12(9-11)15-13(10-18)17-8-3-2-7-14(17)16-15/h2-10H,1H3
InChIKey
HIBAKIZZLKLYDZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1cccc2)c1cccc(c1)C
Isomeric Smiles
n1c(c(n2c1cccc2)C=O)c1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9212794
LogD (pH = 7.4)
2.938328
Log P
2.93855
Molar Refractivity
72.2033
Polarizability
27.951382
Polar Surface Area
34.37
Rotatable Bonds
2
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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