4-(morpholin-4-yl)-3,6-dinitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-(morpholin-4-yl)-3,6-dinitro-2H-1-benzopyran-2-one
4-(morpholin-4-yl)-3,6-dinitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4333-0105 |
| Compound Name: | 4-(morpholin-4-yl)-3,6-dinitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 321.24 |
| Molecular Formula: | C13 H11 N3 O7 |
| Smiles: | C1COCCN1C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4457 |
| logD: | 1.4457 |
| logSw: | -2.2692 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.12 |
| InChI Key: | MKYDTRUPKGXEKA-UHFFFAOYSA-N |