6-iodo-nordihydrocapsaicin   Click here for help

GtoPdb Ligand ID: 4110

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 2
Rotatable bonds 10
Topological polar surface area 58.56
Molecular weight 419.1
XLogP 5.33
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(CNC(=O)CCCCCC(C)C)c(cc1O)I
Isomeric SMILES COc1cc(CNC(=O)CCCCCC(C)C)c(cc1O)I
InChI InChI=1S/C17H26INO3/c1-12(2)7-5-4-6-8-17(21)19-11-13-9-16(22-3)15(20)10-14(13)18/h9-10,12,20H,4-8,11H2,1-3H3,(H,19,21)
InChI Key MGJQSBQUFTWMOG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-7-methyloctanamide
Database Links Click here for help
GtoPdb PubChem SID 178100932
PubChem CID 24881008
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