4-(nitromethyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
4-(nitromethyl)phthalazin-1(2H)-one
4-(nitromethyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8001-0260 |
| Compound Name: | 4-(nitromethyl)phthalazin-1(2H)-one |
| Molecular Weight: | 205.17 |
| Molecular Formula: | C9 H7 N3 O3 |
| Smiles: | C(C1c2ccccc2C(NN=1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.249 |
| logD: | -0.1321 |
| logSw: | -2.302 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.181 |
| InChI Key: | ZJFJGWQSWWFLRI-UHFFFAOYSA-N |