Chrysanthemic Acid
Representations & DB's id
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| ChEBI: | CHEBI:3680 | |
|---|---|---|
| ChEMBL: | CHEMBL1437285 | |
| PubChem: | 2743 | |
| IUPAC: | 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid | |
| Standard InChI: | InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12) | |
| Standard InChI Key: | XLOPRKKSAJMMEW-UHFFFAOYSA-N | |
| SMILES: | CC(=CC1C(C1(C)C)C(=O)O)C | |
Molecular propeties
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| AlogP: | 2.31 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 168.12 | |
| Topological polar surface area: | 37.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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