Dimethyl Phthalate
Representations & DB's id
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| ChEBI: | CHEBI:4609 | |
|---|---|---|
| ChEMBL: | CHEMBL323348 | |
| PubChem: | 8554 | |
| IUPAC: | dimethyl benzene-1,2-dicarboxylate | |
| Standard InChI: | InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3 | |
| Standard InChI Key: | NIQCNGHVCWTJSM-UHFFFAOYSA-N | |
| SMILES: | COC(=O)c1ccccc1C(=O)OC | |
Molecular propeties
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| AlogP: | 1.26 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 194.06 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 10 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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