HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(1H-indol-3-yl)butanedioic acid

Identifiers & Physical Properties
| Molecular formula | C12H11NO4 |
|---|---|
| Average molar mass | 233.22 g/mol |
| SMILES | O=C(O)CC(C(=O)O)c1c[nH]c2ccccc12 |
| InChIKey | HVTXQEBIPXLXDW-UHFFFAOYSA-N |
| PubChem CID | 588708 |
| ChEMBL | CHEMBL2270894 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 90.4 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 318 |