T4C
Summary
| Name: | 4-(4-chlorophenyl)-1~{H}-indole-6-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 | 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H10ClNO2/c16-11-3-1-9(2-4-11)13-7-10(15(18)19)8-14-12(13)5-6-17-14/h1-8,17H,(H,18,19) |
| InChIKey | InChI | 1.06 | QSVCYCVGLSKBCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc2[nH]ccc2c(c1)c3ccc(Cl)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(cc3c2cc[nH]3)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cc(cc3c2cc[nH]3)C(=O)O)Cl |
