3-amino-4-benzoyl-7-nitroisoquinolin-1(2H)-one
Chemical Structure Depiction of
3-amino-4-benzoyl-7-nitroisoquinolin-1(2H)-one
3-amino-4-benzoyl-7-nitroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | 8018-7036 |
| Compound Name: | 3-amino-4-benzoyl-7-nitroisoquinolin-1(2H)-one |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C16 H11 N3 O4 |
| Smiles: | c1ccc(cc1)C(C1=C(N)NC(c2cc(ccc12)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8207 |
| logD: | 1.8134 |
| logSw: | -2.907 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.017 |
| InChI Key: | KCEJIGIYGDLMMQ-UHFFFAOYSA-N |