6-(2-methylanilino)-5-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
Chemical Structure Depiction of
6-(2-methylanilino)-5-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
6-(2-methylanilino)-5-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
Compound characteristics
Compound ID: | Y508-0458 |
Compound Name: | 6-(2-methylanilino)-5-nitro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione |
Molecular Weight: | 348.31 |
Molecular Formula: | C19 H12 N2 O5 |
Smiles: | Cc1ccccc1Nc1c(cc2C(=O)OC(c3cccc1c23)=O)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.0039 |
logD: | 4.0039 |
logSw: | -4.4931 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.625 |
InChI Key: | JOOJLUNDXJSSMG-UHFFFAOYSA-N |