4-(2-methyl-5-nitroanilino)-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(2-methyl-5-nitroanilino)-3-nitro-2H-1-benzopyran-2-one
4-(2-methyl-5-nitroanilino)-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2139-0005 |
| Compound Name: | 4-(2-methyl-5-nitroanilino)-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 341.28 |
| Molecular Formula: | C16 H11 N3 O6 |
| Smiles: | Cc1ccc(cc1NC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0375 |
| logD: | -1.7607 |
| logSw: | -3.6266 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.255 |
| InChI Key: | FQQMCEPNCQUSIB-UHFFFAOYSA-N |