compound 11nn [PMID: 1656041]

Ligand id: 3014

Name: compound 11nn [PMID: 1656041]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 102.71
Molecular weight 426.17
XLogP 4.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel