A1IS6
Summary
| Name: | 5-chloranyl-3-phenyl-1H-indole-2-carboxylic acid |
| Formula: | C15 H10 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 271.698 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-chloranyl-3-phenyl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19) |
| InChIKey | InChI | 1.06 | WQRNPWUZAVBEBC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2ccc(Cl)cc2c1c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2ccc(Cl)cc2c1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c3cc(ccc3[nH]c2C(=O)O)Cl |
