Molecule

ID:35292

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₂
Molecular Mass
252.26798
Exact Mass
252.08987763
Charge
0
InChI
InChI=1S/C15H12N2O2/c1-19-13-7-3-2-6-11(13)15-12(10-18)17-9-5-4-8-14(17)16-15/h2-10H,1H3
InChIKey
BNZXWEJQRXRXSZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1nc2n(c1C=O)cccc2
Isomeric Smiles
c1(nc2n(c1C=O)cccc2)c1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2529652
LogD (pH = 7.4)
2.2672718
Log P
2.2674572
Molar Refractivity
73.6253
Polarizability
28.676075
Polar Surface Area
43.6
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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