hexahydrosiladifenidol   Click here for help

GtoPdb Ligand ID: 310

Abbreviated name: HHSiD
Synonyms: GNF-Pf-5565 | hexahydro-sila-diphenidol | Hhsi-difenidol
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 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 23.47
Molecular weight 331.23
XLogP 5.18
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1
Isomeric SMILES O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1
InChI InChI=1S/C20H33NOSi/c22-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1,4-5,11-12,20,22H,2-3,6-10,13-18H2
InChI Key QTBCATBNRIYMPB-UHFFFAOYSA-N