Y6P
Summary
| Name: | 7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid |
| Formula: | C13 H11 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 241.245 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-methyl-3-(1~{H}-pyrazol-4-yl)-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11N3O2/c1-7-3-2-4-9-10(8-5-14-15-6-8)12(13(17)18)16-11(7)9/h2-6,16H,1H3,(H,14,15)(H,17,18) |
| InChIKey | InChI | 1.03 | GUEVKZFKUSZADK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3 |
| SMILES | CACTVS | 3.385 | Cc1cccc2c1[nH]c(C(O)=O)c2c3c[nH]nc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1[nH]c(c2c3c[nH]nc3)C(=O)O |
