3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-hydroxycyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-hydroxycyclobut-3-ene-1,2-dione
3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-hydroxycyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | G317-0491 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-hydroxycyclobut-3-ene-1,2-dione |
| Molecular Weight: | 229.23 |
| Molecular Formula: | C13 H11 N O3 |
| Smiles: | C1CN(Cc2ccccc12)C1=C(C(C1=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.5088 |
| logD: | -3.261 |
| logSw: | -2.0546 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.158 |
| InChI Key: | SBGYHOYGNHWUCB-UHFFFAOYSA-N |