Molecule

ID:59162

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O
Molecular Mass
251.28322
Exact Mass
251.10586205
Charge
0
InChI
InChI=1S/C15H13N3O/c1-10-3-6-12(7-4-10)18-15(19)16-13-8-5-11(2)9-14(13)17-18/h3-9H,1-2H3
InChIKey
LQVNYLIPONIZNX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)n1nc2cc(C)ccc2nc1=O
Isomeric Smiles
n1n(c(=O)nc2c1cc(cc2)C)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1716976
LogD (pH = 7.4)
3.1716976
Log P
3.1716976
Molar Refractivity
75.7333
Polarizability
27.52358
Polar Surface Area
45.03
Rotatable Bonds
1
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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