3-nitro-4-(propylamino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-nitro-4-(propylamino)-2H-1-benzopyran-2-one
3-nitro-4-(propylamino)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0206-0021 |
| Compound Name: | 3-nitro-4-(propylamino)-2H-1-benzopyran-2-one |
| Molecular Weight: | 248.24 |
| Molecular Formula: | C12 H12 N2 O4 |
| Smiles: | CCCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8794 |
| logD: | 1.8431 |
| logSw: | -2.7436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.006 |
| InChI Key: | MIQDOFUCSXHPAX-UHFFFAOYSA-N |