compound 27 [PMID: 20598884]   Click here for help

GtoPdb Ligand ID: 6437

Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 52.89
Molecular weight 274.03
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl
Isomeric SMILES N#Cc1cc(F)cc(c1)C(=O)Nc1cccc(c1)Cl
InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)
InChI Key FNDUFJARTKDXEF-UHFFFAOYSA-N
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel