Indole-3-Carboxylic Acid
Representations & DB's id
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| ChEBI: | CHEBI:24809 | |
|---|---|---|
| ChEMBL: | CHEMBL387527 | |
| PubChem: | 69867 | |
| IUPAC: | 1H-indole-3-carboxylic acid | |
| Standard InChI: | InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12) | |
| Standard InChI Key: | KMAKOBLIOCQGJP-UHFFFAOYSA-N | |
| SMILES: | OC(=O)c1c[nH]c2c1cccc2 | |
Molecular propeties
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| AlogP: | 1.87 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 161.05 | |
| Topological polar surface area: | 53.1 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0 | |
| Number of carbons: | 9 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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