 |
| 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 |
Ligand Type: Small Molecule |