3-(azepan-1-yl)-4-hydroxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(azepan-1-yl)-4-hydroxycyclobut-3-ene-1,2-dione
3-(azepan-1-yl)-4-hydroxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0465 |
| Compound Name: | 3-(azepan-1-yl)-4-hydroxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 195.22 |
| Molecular Formula: | C10 H13 N O3 |
| Smiles: | C1CCCN(CC1)C1=C(C(C1=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.2168 |
| logD: | -2.5989 |
| logSw: | -1.1787 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.827 |
| InChI Key: | ODVURYRGEDWUKC-UHFFFAOYSA-N |