A1C1Q
Summary
| Name: | 5-phenyl-1H-indole-2-carboxylic acid |
| Formula: | C15 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 237.253 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-phenyl-1H-indole-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 5-phenyl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(O)c1cc2cc(ccc2[NH]1)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H11NO2/c17-15(18)14-9-12-8-11(6-7-13(12)16-14)10-4-2-1-3-5-10/h1-9,16H,(H,17,18) |
| InChIKey | InChI | 1.06 | ZFGZSZKIDKLLQE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2ccc(cc2c1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2ccc(cc2c1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2ccc3c(c2)cc([nH]3)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)c2ccc3c(c2)cc([nH]3)C(=O)O |
