Basic information
- Standard SMILES
Nc1cc(Sc2cccc3cnccc23)c(F)cc1[N+](=O)[O-]- InChIKey
JSODQCMVCKHQHI-UHFFFAOYSA-N- Molecular formula
- C15H10FN3O2S
- Average molar mass
- 315.3 g/mol
- Monoisotopic mass
- 315.04777591
Names & identifiers
- Preferred name
- 4-Fluoro-5-(5-isoquinolylsulfanyl)-2-nitroaniline
- IUPAC
- 4-fluoro-5-isoquinolin-5-ylsulfanyl-2-nitroaniline
Names & synonyms
SCHEMBL6958271JSODQCMVCKHQHI-UHFFFAOYSA-N4-fluoro-5-(5-isoquinolylsulfanyl)-2-nitroaniline
Database identifiers
- PubChem CID
- 21846902
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Related reactions
4 records
Compound notes
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