Basic information
- Standard SMILES
Cc1cc(OCCCON)cc(OS(=O)(=O)c2cccc3cnccc23)c1- InChIKey
FXTFPYPXUIFMFF-UHFFFAOYSA-N- Molecular formula
- C19H20N2O5S
- Average molar mass
- 388.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(5-Isoquinolinylsulfonyloxy)-5-methylphenoxy]propoxyamine
- IUPAC
- [3-(3-aminooxypropoxy)-5-methylphenyl] isoquinoline-5-sulfonate
Names & synonyms
SCHEMBL6749583FXTFPYPXUIFMFF-UHFFFAOYSA-N3-[3-(5-isoquinolinylsulfonyloxy)-5-methylphenoxy]propoxyamine
Database identifiers
- PubChem CID
- 22722693
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 553
Related reactions
3 records
Compound notes
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