silahexocyclium   Click here for help

GtoPdb Ligand ID: 331

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 23.47
Molecular weight 333.24
XLogP 3.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O
Isomeric SMILES C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O
InChI InChI=1S/C19H33N2OSi/c1-21(2)15-13-20(14-16-21)17-23(22,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,22H,4,7-8,11-17H2,1-2H3/q+1
InChI Key GBISIIAKUATURW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
cyclohexyl-[(4,4-dimethylpiperazin-4-ium-1-yl)methyl]-hydroxy-phenylsilane
Database Links Click here for help
CAS Registry No. 142173-06-6 (source: Scifinder)
GtoPdb PubChem SID 135651044
PubChem CID 130169
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