R9K
Summary
| Name: | 3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid |
| Formula: | C16 H12 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 285.725 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12ClNO2/c1-9-5-4-7-11-13(10-6-2-3-8-12(10)17)15(16(19)20)18-14(9)11/h2-8,18H,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | CXZJJQHOJSSHGW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3Cl |
| SMILES | CACTVS | 3.385 | Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc2c1[nH]c(c2c3ccccc3Cl)C(=O)O |
