Veratric Acid Methyl Ester
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL446736 | |
| PubChem: | 16522 | |
| IUPAC: | methyl 3,4-dimethoxybenzoate | |
| Standard InChI: | InChI=1S/C10H12O4/c1-12-8-5-4-7(10(11)14-3)6-9(8)13-2/h4-6H,1-3H3 | |
| Standard InChI Key: | BIGQPYZPEWAPBG-UHFFFAOYSA-N | |
| SMILES: | COC(=O)c1ccc(c(c1)OC)OC | |
Molecular propeties
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| AlogP: | 1.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 1 | |
| Molecular Weight: | 196.07 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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