HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(1H-indol-2-yl)butanoic acid
Identifiers & Physical Properties
| Molecular formula | C12H13NO2 |
|---|---|
| Average molar mass | 203.24 g/mol |
| Monoisotopic mass | 203.09462866 g/mol |
| SMILES | CCC(C(=O)O)c1cc2ccccc2[nH]1 |
| InChIKey | VYPKFHFVKFKHMK-UHFFFAOYSA-N |
| PubChem CID | 19085256 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 53.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 3 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 242 |