(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
Chemical Structure Depiction of
(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
(6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
Compound characteristics
| Compound ID: | 8003-3755 |
| Compound Name: | (6,7-dinitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid |
| Molecular Weight: | 345.22 |
| Molecular Formula: | C14 H7 N3 O8 |
| Smiles: | C(C(O)=O)N1C(c2ccc(c3c(ccc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4965 |
| logD: | -3.7445 |
| logSw: | -2.3026 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 123.67 |
| InChI Key: | ATGWGQFHPJUXNE-UHFFFAOYSA-N |