DK1
Summary
| Name: | 5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACID |
| Synonyms: | DCKA 5,7-DICHLOROKYNURENIC ACID |
| Formula: | C10 H5 Cl2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 258.058 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5,7-dichloro-4-hydroxyquinoline-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 5,7-dichloro-4-hydroxy-quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc2nc(cc(O)c2c(Cl)c1)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 |
| SMILES | CACTVS | 3.341 | OC(=O)c1cc(O)c2c(Cl)cc(Cl)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c2c1nc(cc2O)C(=O)O)Cl)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H5Cl2NO3/c11-4-1-5(12)9-6(2-4)13-7(10(15)16)3-8(9)14/h1-3H,(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | BGKFPRIGXAVYNX-UHFFFAOYSA-N |
