5-MPEP   Click here for help

GtoPdb Ligand ID: 1419

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 12.89
Molecular weight 193.09
XLogP 3.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(nc1)C#Cc1ccccc1
Isomeric SMILES Cc1ccc(nc1)C#Cc1ccccc1
InChI InChI=1S/C14H11N/c1-12-7-9-14(15-11-12)10-8-13-5-3-2-4-6-13/h2-7,9,11H,1H3
InChI Key HESJPHOOGDBABM-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-methyl-2-(2-phenylethynyl)pyridine
Database Links Click here for help
CAS Registry No. 124300-38-5 (source: Scifinder)
GtoPdb PubChem SID 135649842
PubChem CID 14343211
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