3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0546 |
| Compound Name: | 3-{[(4-fluorophenyl)methyl]amino}-4-hydroxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 221.18 |
| Molecular Formula: | C11 H8 F N O3 |
| Smiles: | C(c1ccc(cc1)F)NC1=C(C(C1=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 0.5274 |
| logD: | -4.2832 |
| logSw: | -1.7098 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.559 |
| InChI Key: | ZPCIIBXDNCHQAO-UHFFFAOYSA-N |