NS9283   

GtoPdb Ligand ID: 3993

Synonyms: NS-9283
Compound class: Synthetic organic
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 75.6
Molecular weight 248.07
XLogP 2.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES N#Cc1cccc(c1)c1onc(n1)c1cccnc1
Isomeric SMILES N#Cc1cccc(c1)c1onc(n1)c1cccnc1
InChI InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H
InChI Key HGFXDSQLRSWUBO-UHFFFAOYSA-N
Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel