Basic information
- Standard SMILES
Nc1cc2c(NC(=O)C(Cl)(Cl)Cl)cccc2cn1- InChIKey
CGNHYDSHGVDHPQ-UHFFFAOYSA-N- Molecular formula
- C11H8Cl3N3O
- Average molar mass
- 304.6 g/mol
Names & identifiers
- Preferred name
- N-(3-amino-5-isoquinolinyl)-2,2,2-trichloroacetamide
- IUPAC
- N-(3-aminoisoquinolin-5-yl)-2,2,2-trichloroacetamide
Names & synonyms
SCHEMBL4203618CGNHYDSHGVDHPQ-UHFFFAOYSA-NN-(3-amino-5-isoquinolinyl)-2,2,2-trichloroacetamide
Database identifiers
- PubChem CID
- 22337669
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 321
Related reactions
8 records
Compound notes
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