Methylindole-3-Carboxylate
Representations & DB's id
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| ChEBI: | CHEBI:65019 | |
|---|---|---|
| ChEMBL: | CHEMBL2270066 | |
| PubChem: | 589098 | |
| IUPAC: | methyl 1H-indole-3-carboxylate | |
| Standard InChI: | InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3 | |
| Standard InChI Key: | QXAUTQFAWKKNLM-UHFFFAOYSA-N | |
| SMILES: | COC(=O)c1c[nH]c2c1cccc2 | |
Molecular propeties
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| AlogP: | 1.95 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 175.06 | |
| Topological polar surface area: | 42.1 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.1 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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