2-hydroxy-3a-(3-nitrophenyl)-3a,4-dihydro-1H-pyrrolo[1,2-a]benzimidazol-1-one
Chemical Structure Depiction of
2-hydroxy-3a-(3-nitrophenyl)-3a,4-dihydro-1H-pyrrolo[1,2-a]benzimidazol-1-one
2-hydroxy-3a-(3-nitrophenyl)-3a,4-dihydro-1H-pyrrolo[1,2-a]benzimidazol-1-one
Compound characteristics
| Compound ID: | Y501-1871 |
| Compound Name: | 2-hydroxy-3a-(3-nitrophenyl)-3a,4-dihydro-1H-pyrrolo[1,2-a]benzimidazol-1-one |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C16 H11 N3 O4 |
| Smiles: | C1=C(C(N2c3ccccc3NC12c1cccc(c1)[N+]([O-])=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4283 |
| logD: | 2.4279 |
| logSw: | -2.926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.15 |
| InChI Key: | VJXADKDYIADNKQ-INIZCTEOSA-N |