4ZV
Summary
| Name: | 1H-indole-5-carboxylic acid |
| Formula: | C9 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 161.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | 1H-indole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12) |
| InChIKey | InChI | 1.03 | IENZCGNHSIMFJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc2[nH]ccc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc2[nH]ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc[nH]2)cc1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(cc[nH]2)cc1C(=O)O |
