WDuo3

Ligand id: 363

Name: WDuo3

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 125.7
Molecular weight 604.21
XLogP 7.18
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[[1-[3-[4-[(Z)-(1,3-dioxoisoindol-2-yl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methylideneamino]oxymethyl]isoindole-1,3-dione
Database Links
CAS Registry No. 750541-94-7 (source: Scifinder)
PubChem CID 10259588
Search Google for chemical match using the InChIKey OLTRDACQFPTOSK-XCUVAWFXSA-N
Search Google for chemicals with the same backbone OLTRDACQFPTOSK
Search UniChem for chemical match using the InChIKey OLTRDACQFPTOSK-XCUVAWFXSA-N
Search UniChem for chemicals with the same backbone OLTRDACQFPTOSK