Butane-1,3-Diol
Representations & DB's id
| ||
| ChEBI: | CHEBI:52683 | |
|---|---|---|
| ChEMBL: | CHEMBL3186475 | |
| PubChem: | 7896 | |
| IUPAC: | butane-1,3-diol | |
| Standard InChI: | InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 | |
| Standard InChI Key: | PUPZLCDOIYMWBV-UHFFFAOYSA-N | |
| SMILES: | OCCC(O)C | |
Molecular propeties
| ||
| AlogP: | -0.25 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 90.07 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 1 | |
| Number of carbons: | 4 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|