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Basic information
- Standard SMILES
I.O=C(CN1CCCCC1)c1ccc2c(c1)Sc1ccccc1O2- InChIKey
LJYGZKNFZXAIDT-UHFFFAOYSA-N- Molecular formula
- C19H20INO2S
- Average molar mass
- 453.3 g/mol
- Monoisotopic mass
- 453.02595
Names & identifiers
- Preferred name
- 1-Phenoxathiin-2-yl-2-piperidin-1-ylethanone;hydroiodide
- IUPAC
- 1-phenoxathiin-2-yl-2-piperidin-1-ylethanone;hydroiodide
Names & synonyms
NSC691890CHEMBL1972971NSC-691890
Database identifiers
- PubChem CID
- 392073
- ChEMBL
CHEMBL1972971
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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