A1IGR
Summary
| Name: | 1H-indole-3-carboxamide |
| Formula: | C9 H8 N2 O |
| Formal charge: | 0 |
| Formula weight: | 160.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-indole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H8N2O/c10-9(12)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H2,10,12) |
| InChIKey | InChI | 1.06 | LSGKMZLPZFPAIN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | NC(=O)c1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)C(=O)N |
