{1,3-dioxo-6-[(prop-2-en-1-yl)amino]-1H-benzo[de]isoquinolin-2(3H)-yl}acetic acid
Chemical Structure Depiction of
{1,3-dioxo-6-[(prop-2-en-1-yl)amino]-1H-benzo[de]isoquinolin-2(3H)-yl}acetic acid
{1,3-dioxo-6-[(prop-2-en-1-yl)amino]-1H-benzo[de]isoquinolin-2(3H)-yl}acetic acid
Compound characteristics
| Compound ID: | 4305-0123 |
| Compound Name: | {1,3-dioxo-6-[(prop-2-en-1-yl)amino]-1H-benzo[de]isoquinolin-2(3H)-yl}acetic acid |
| Molecular Weight: | 310.31 |
| Molecular Formula: | C17 H14 N2 O4 |
| Smiles: | C=CCNc1ccc2C(N(CC(O)=O)C(c3cccc1c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.001 |
| logD: | -3.24 |
| logSw: | -2.6003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.159 |
| InChI Key: | YMOYTZPWITWDRQ-UHFFFAOYSA-N |