methylfurmethide   Click here for help

GtoPdb Ligand ID: 300

Synonyms: 5 MFT | 5-methylfurmithide
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 13.14
Molecular weight 154.12
XLogP 0.52
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(o1)C[N+](C)(C)C
Isomeric SMILES Cc1ccc(o1)C[N+](C)(C)C
InChI InChI=1S/C9H16NO/c1-8-5-6-9(11-8)7-10(2,3)4/h5-6H,7H2,1-4H3/q+1
InChI Key KOWVJDFMEZKDDT-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
trimethyl-[(5-methylfuran-2-yl)methyl]azanium
Synonyms Click here for help
5 MFT | 5-methylfurmithide
Database Links Click here for help
CAS Registry No. 1197-60-0
ChEMBL Ligand CHEMBL92387
GtoPdb PubChem SID 135650592
PubChem CID 4141
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