2-methyl-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-methyl-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-methyl-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8004-3428 |
| Compound Name: | 2-methyl-5,8-dinitro-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 301.21 |
| Molecular Formula: | C13 H7 N3 O6 |
| Smiles: | CN1C(c2cc(cc3cc(cc(C1=O)c23)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5232 |
| logD: | 1.5232 |
| logSw: | -2.1663 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 95.654 |
| InChI Key: | JANSIHYYARENOW-UHFFFAOYSA-N |