Azulene
Representations & DB's id
| ||
| ChEBI: | CHEBI:31249 | |
|---|---|---|
| ChEMBL: | CHEMBL3272628 | |
| PubChem: | 9231 | |
| IUPAC: | azulene | |
| Standard InChI: | InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H | |
| Standard InChI Key: | CUFNKYGDVFVPHO-UHFFFAOYSA-N | |
| SMILES: | c1ccc2c(cc1)ccc2 | |
Molecular propeties
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| AlogP: | 2.79 | |
|---|---|---|
| Hydrogen bonds acceptors: | 0 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 128.06 | |
| Topological polar surface area: | 0 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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