2-{[4-(2,4-dinitroanilino)phenyl]carbamoyl}-6-nitrobenzoic acid
Chemical Structure Depiction of
2-{[4-(2,4-dinitroanilino)phenyl]carbamoyl}-6-nitrobenzoic acid
2-{[4-(2,4-dinitroanilino)phenyl]carbamoyl}-6-nitrobenzoic acid
Compound characteristics
| Compound ID: | 1513-0623 |
| Compound Name: | 2-{[4-(2,4-dinitroanilino)phenyl]carbamoyl}-6-nitrobenzoic acid |
| Molecular Weight: | 467.35 |
| Molecular Formula: | C20 H13 N5 O9 |
| Smiles: | c1cc(C(Nc2ccc(cc2)Nc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)=O)c(C(O)=O)c(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0282 |
| logD: | -2.1228 |
| logSw: | -4.3394 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 159.495 |
| InChI Key: | WYZGSKDEMHNPII-UHFFFAOYSA-N |