(2-chloro-5-nitrophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
(2-chloro-5-nitrophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
(2-chloro-5-nitrophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | Y031-9414 |
| Compound Name: | (2-chloro-5-nitrophenyl)(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 316.74 |
| Molecular Formula: | C16 H13 Cl N2 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1cc(ccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.566 |
| logD: | 3.566 |
| logSw: | -4.0381 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.93 |
| InChI Key: | VLFUSCMQIDHKAR-UHFFFAOYSA-N |