 |
| Ligand Name: PCM-0103016 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1335 |
PubChem:
10062398
|
Synonym(s):
- 2-chloro-1-[4-(2-nitrophenyl)piperazin-1-yl]ethan-1-one
- 1000930-18-6
- 2-chloro-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
- zinc12504837
- akos009075955
- ne52110
- en300-22679
- z1562119284
show 7 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: [O-][N+](=O)c1ccccc1N2CCN(CC2)C(=O)CCl |
| Standard InChI: InChI=1S/C12H14ClN3O3/c13-9-12(17)15-7-5-14(6-8-15)10-3-1-2-4-11(10)16(18)19/h1-4H,5-9H2 |
| Molecular Formula: C12H14ClN3O3 |
Mol. Weight: 283.07236 |
logP: 1.4822 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 3 | TPSA: 66.69 |