2-(5-Hydroxy-1H-Indol-3-Yl)-N,N-Dimethylethanamine Oxide
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1779175 | |
| PubChem: | 3083669 | |
| IUPAC: | 2-(5-hydroxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide | |
| Standard InChI: | InChI=1S/C12H16N2O2/c1-14(2,16)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3 | |
| Standard InChI Key: | UADOMBGQYQPICP-UHFFFAOYSA-N | |
| SMILES: | Oc1ccc2c(c1)c(CCN(=O)(C)C)c[nH]2 | |
Molecular propeties
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| AlogP: | 1.99 | |
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| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 220.12 | |
| Topological polar surface area: | 54.1 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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