5-hydroxy-6-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
Chemical Structure Depiction of
5-hydroxy-6-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
5-hydroxy-6-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
Compound characteristics
| Compound ID: | 0099-0185 |
| Compound Name: | 5-hydroxy-6-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione |
| Molecular Weight: | 259.17 |
| Molecular Formula: | C12 H5 N O6 |
| Smiles: | c1cc2C(=O)OC(c3cc(c(c(c1)c23)[N+]([O-])=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1775 |
| logD: | 1.1741 |
| logSw: | -2.8198 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.053 |
| InChI Key: | UZWXOXHNLSASRH-UHFFFAOYSA-N |