4-[3-nitro-4-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Chemical Structure Depiction of
4-[3-nitro-4-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
4-[3-nitro-4-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 6216-0053 |
| Compound Name: | 4-[3-nitro-4-(pyrrolidin-1-yl)phenyl]phthalazin-1(2H)-one |
| Molecular Weight: | 336.35 |
| Molecular Formula: | C18 H16 N4 O3 |
| Smiles: | C1CCN(C1)c1ccc(cc1[N+]([O-])=O)C1c2ccccc2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.031 |
| logD: | 3.0308 |
| logSw: | -3.7194 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.956 |
| InChI Key: | FPCLJERZGAKAAX-UHFFFAOYSA-N |