{4-[(3-chlorophenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Chemical Structure Depiction of
{4-[(3-chlorophenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
{4-[(3-chlorophenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3381-0485 |
| Compound Name: | {4-[(3-chlorophenyl)methyl]piperazin-1-yl}(4-nitrophenyl)methanone--oxalic acid (1/1) |
| Molecular Weight: | 449.85 |
| Molecular Formula: | C18 H18 Cl N3 O3 |
| Salt: | HOOCCOOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)[Cl])C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9993 |
| logD: | 2.9927 |
| logSw: | -3.4989 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.809 |
| InChI Key: | JWGQRPUDIOUWFD-UHFFFAOYSA-N |