Heptanoate
Representations & DB's id
| ||
| ChEBI: | CHEBI:45571 | |
|---|---|---|
| ChEMBL: | CHEMBL320358 | |
| PubChem: | 8094 | |
| IUPAC: | heptanoic acid | |
| Standard InChI: | InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9) | |
| Standard InChI Key: | MNWFXJYAOYHMED-UHFFFAOYSA-N | |
| SMILES: | CCCCCCC(=O)O | |
Molecular propeties
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| AlogP: | 2.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 0 | |
| Molecular Weight: | 130.1 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.857 | |
| Number of carbons: | 7 | |