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Basic information
- Standard SMILES
O=C(c1sc2cc(O)c(O)cc2c1Cl)N1CCC(O)CC1- InChIKey
QEQCKSQMFSDOGY-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO4S
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.0332068
Names & identifiers
- Preferred name
- (3-Chloro-5,6-dihydroxy-benzo[b]thiophen-2-yl)-(4-hydroxy-piperidin-1-yl)-methanone
- IUPAC
- (3-chloro-5,6-dihydroxy-1-benzothiophen-2-yl)-(4-hydroxypiperidin-1-yl)methanone
Names & synonyms
SCHEMBL1609326QEQCKSQMFSDOGY-UHFFFAOYSA-N(3-Chloro-5,6-dihydroxy-benzo[b]thiophen-2-yl)-(4-hydroxy-piperidin-1-yl)-methanone
Database identifiers
- PubChem CID
- 67094375
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Related reactions
3 records
Compound notes
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