3-nitro-4-(pyrrolidin-1-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-nitro-4-(pyrrolidin-1-yl)-2H-1-benzopyran-2-one
3-nitro-4-(pyrrolidin-1-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 0206-0032 |
| Compound Name: | 3-nitro-4-(pyrrolidin-1-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 260.25 |
| Molecular Formula: | C13 H12 N2 O4 |
| Smiles: | C1CCN(C1)C1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3877 |
| logD: | 2.3877 |
| logSw: | -2.9109 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.196 |
| InChI Key: | ADBXTULQWMWTBQ-UHFFFAOYSA-N |