Octanedioic acid
Representations & DB's id
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| ChEBI: | CHEBI:9300 | |
|---|---|---|
| ChEMBL: | CHEMBL1162491 | |
| PubChem: | 10457 | |
| IUPAC: | octanedioic acid | |
| Standard InChI: | InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) | |
| Standard InChI Key: | TYFQFVWCELRYAO-UHFFFAOYSA-N | |
| SMILES: | OC(=O)CCCCCCC(=O)O | |
Molecular propeties
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| AlogP: | 1.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 0 | |
| Molecular Weight: | 174.09 | |
| Topological polar surface area: | 74.6 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.75 | |
| Number of carbons: | 8 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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