S9B
Summary
| Name: | isoquinoline-5-carboxylic acid |
| Formula: | C10 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 173.168 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | isoquinoline-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13) |
| InChIKey | InChI | 1.03 | ZIPLFLRGHZAXSJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2c(c1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2cnccc2c(c1)C(=O)O |
