Q2S
Summary
| Name: | 3-(1~{H}-indol-5-yl)benzoic acid |
| Formula: | C15 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 237.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-(1~{H}-indol-5-yl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18) |
| InChIKey | InChI | 1.03 | VKHHKQSCGXEKEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2ccc3[nH]ccc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)c2ccc3[nH]ccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cc[nH]3 |
