1,6-Hexanediol
Representations & DB's id
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| ChEBI: | CHEBI:43078 | |
|---|---|---|
| ChEMBL: | CHEMBL458616 | |
| PubChem: | 12374 | |
| IUPAC: | hexane-1,6-diol | |
| Standard InChI: | InChI=1S/C6H14O2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2 | |
| Standard InChI Key: | XXMIOPMDWAUFGU-UHFFFAOYSA-N | |
| SMILES: | OCCCCCCO | |
Molecular propeties
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| AlogP: | 0.53 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 118.1 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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