Basic information
- Standard SMILES
Nc1ccc(Sc2cccc3cnccc23)c([N+](=O)[O-])c1- InChIKey
FRBQEWKGFIFQJB-UHFFFAOYSA-N- Molecular formula
- C15H11N3O2S
- Average molar mass
- 297.3 g/mol
Names & identifiers
- Preferred name
- 4-(5-Isoquinolylsulfanyl)-3-nitroaniline
- IUPAC
- 4-isoquinolin-5-ylsulfanyl-3-nitroaniline
Names & synonyms
SCHEMBL6968103FRBQEWKGFIFQJB-UHFFFAOYSA-N4-(5-isoquinolylsulfanyl)-3-nitroaniline
Database identifiers
- PubChem CID
- 21846909
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
1 records
Compound notes
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