2-anilino-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-anilino-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-anilino-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 2248-8127 |
| Compound Name: | 2-anilino-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 333.3 |
| Molecular Formula: | C18 H11 N3 O4 |
| Smiles: | c1ccc(cc1)NN1C(c2cccc3cc(cc(C1=O)c23)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4818 |
| logD: | 0.4167 |
| logSw: | -3.5242 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.458 |
| InChI Key: | NKDATZNNVCWNJX-UHFFFAOYSA-N |