3-hydroxy-4-[4-(propan-2-yl)anilino]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-hydroxy-4-[4-(propan-2-yl)anilino]cyclobut-3-ene-1,2-dione
3-hydroxy-4-[4-(propan-2-yl)anilino]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0548 |
| Compound Name: | 3-hydroxy-4-[4-(propan-2-yl)anilino]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 231.25 |
| Molecular Formula: | C13 H13 N O3 |
| Smiles: | CC(C)c1ccc(cc1)NC1=C(C(C1=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.2727 |
| logD: | -2.5499 |
| logSw: | -3.0253 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.237 |
| InChI Key: | DWEXOGWWWFZGCF-UHFFFAOYSA-N |