Basic information
- Standard SMILES
CC1CC(=O)c2c(Cl)c(Cl)cc3c(=O)c(C(=O)O)cn1c23- InChIKey
CJGAVMPIOIZERZ-UHFFFAOYSA-N- Molecular formula
- C14H9Cl2NO4
- Average molar mass
- 326.1 g/mol
Names & identifiers
- Preferred name
- 8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid
- IUPAC
- 7,8-dichloro-12-methyl-4,10-dioxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
Names & synonyms
SCHEMBL9703818CJGAVMPIOIZERZ-UHFFFAOYSA-N8,9-dichloro-5-methyl-6,7-dihydro-1,7-dioxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid8, 9-dichloro-5-methyl-6, 7-dihydro-1,7-dioxo-1H, 5H-benzo[ij]quinolizine-2-carboxylic acid
Database identifiers
- PubChem CID
- 20154346
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 561
Related reactions
4 records
Compound notes
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