7-nitro-1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulfonic acid
Chemical Structure Depiction of
7-nitro-1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulfonic acid
7-nitro-1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulfonic acid
Compound characteristics
| Compound ID: | 0483-0026 |
| Compound Name: | 7-nitro-1,3-dioxo-1H,3H-naphtho[1,8-cd]pyran-6-sulfonic acid |
| Molecular Weight: | 323.23 |
| Molecular Formula: | C12 H5 N O8 S |
| Smiles: | c1cc(c2c(ccc3C(=O)OC(c1c23)=O)S(O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.5846 |
| logD: | -14.6484 |
| logSw: | -2.3285 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.22 |
| InChI Key: | YZDMGIPSDSRFGX-UHFFFAOYSA-N |