|
Ligand Download |
||
 | ||
| Ligand Name: 6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one | ||
| HET ID: M4B | PubChem: 145994373 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: [O-][N+](=O)c1c(C)[nH]c(=O)nc1c1ccccc1 | ||
| Standard InChI: InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15) | ||
| Molecular Formula: C11H9N3O3 | Mol. Weight: 231.20746 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: False | logP: 2.1767 |
| HBD: 1 | HBA: 2 | TPSA: 91.57 |
| #Bonds: 19 | #Rotatable Bonds: 2 | Shape Complexity: 0.09090909 |
| Stereocomplexity: 0.0 | ||