p-F-HHSiD   Click here for help

GtoPdb Ligand ID: 308

Synonyms: p-pluorohexahydrosiladyphenidol | pFHHSiD
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 6
Topological polar surface area 23.47
Molecular weight 349.22
XLogP 5.34
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O
Isomeric SMILES Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O
InChI InChI=1S/C20H32FNOSi/c21-18-10-12-20(13-11-18)24(23,19-8-3-1-4-9-19)17-7-16-22-14-5-2-6-15-22/h10-13,19,23H,1-9,14-17H2
InChI Key ZNSZQJHTFRQUPD-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
cyclohexyl-(4-fluorophenyl)-hydroxy-(3-piperidin-1-ylpropyl)silane
Synonyms Click here for help
p-pluorohexahydrosiladyphenidol | pFHHSiD
Database Links Click here for help
CAS Registry No. 116679-83-5
ChEMBL Ligand CHEMBL1256682
GtoPdb PubChem SID 135650408
PubChem CID 3603
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