dodecyl-thiophosphate   Click here for help

GtoPdb Ligand ID: 6990

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 91.59
Molecular weight 282.14
XLogP 6.13
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCOP(=S)(O)O
Isomeric SMILES CCCCCCCCCCCCOP(=S)(O)O
InChI InChI=1S/C12H27O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h2-12H2,1H3,(H2,13,14,17)
InChI Key ISWBBUXCFWZBKC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
dodecoxy-dihydroxy-sulfanylidenephosphorane
Database Links Click here for help
ChEMBL Ligand CHEMBL191365
GtoPdb PubChem SID 178103569
PubChem CID 10468943
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