Rac-3-N-Butylphthalide
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL248594 | |
| PubChem: | 61361 | |
| IUPAC: | 3-butyl-3H-2-benzofuran-1-one | |
| Standard InChI: | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 | |
| Standard InChI Key: | HJXMNVQARNZTEE-UHFFFAOYSA-N | |
| SMILES: | CCCCC1OC(=O)c2c1cccc2 | |
Molecular propeties
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| AlogP: | 3.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 2 | |
| Molecular Weight: | 190.1 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.417 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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