(4-chloro-3-nitrophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
(4-chloro-3-nitrophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
(4-chloro-3-nitrophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | 2022-1853 |
| Compound Name: | (4-chloro-3-nitrophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 316.74 |
| Molecular Formula: | C16 H13 Cl N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1023 |
| logD: | 3.1023 |
| logSw: | -3.5421 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.629 |
| InChI Key: | XYFDZFKZAKZZKV-UHFFFAOYSA-N |