3-hydroxy-4-[(2-phenylethyl)amino]cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-hydroxy-4-[(2-phenylethyl)amino]cyclobut-3-ene-1,2-dione
3-hydroxy-4-[(2-phenylethyl)amino]cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0516 |
| Compound Name: | 3-hydroxy-4-[(2-phenylethyl)amino]cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 217.22 |
| Molecular Formula: | C12 H11 N O3 |
| Smiles: | C(CNC1=C(C(C1=O)=O)O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 0.6035 |
| logD: | -4.1813 |
| logSw: | -1.6343 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.401 |
| InChI Key: | IYGDQUCDXZECON-UHFFFAOYSA-N |