Ligand id: 5730

Name: 4,9-anhydro-tetrodotoxin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 7
Rotatable bonds 1
Topological polar surface area 158.26
Molecular weight 302.1
XLogP -3.37
No. Lipinski's rules broken 1

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