T2F
Summary
| Name: | 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-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 | 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H12ClNO2/c1-9-13(16(19)20)8-14(12-6-7-18-15(9)12)10-2-4-11(17)5-3-10/h2-8,18H,1H3,(H,19,20) |
| InChIKey | InChI | 1.06 | HXZMDXUYYVDPRW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | Cc1c2[nH]ccc2c(cc1C(O)=O)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cc(c2c1[nH]cc2)c3ccc(cc3)Cl)C(=O)O |
