CKA
Summary
| Name: | 7-Chlorokynurenic acid |
| Synonyms: | 7-CKA |
| Formula: | C10 H6 Cl N O3 |
| Formal charge: | 0 |
| Formula weight: | 223.613 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 7-chloranyl-4-oxidanylidene-1H-quinoline-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc2c1C(C=C(C(O)=O)N2)=O)Cl |
| InChI | InChI | 1.03 | InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | UAWVRVFHMOSAPU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CC(=O)c2ccc(Cl)cc2N1 |
| SMILES | CACTVS | 3.385 | OC(=O)C1=CC(=O)c2ccc(Cl)cc2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O |
