Chemical Name - Metronidazole
Mol Weight - 171.155
Smiles - Cc(n1CCO)ncc1[N+]([O-])=O
Mol Weight - 171.155
Smiles - Cc(n1CCO)ncc1[N+]([O-])=O
| Property Value | |
| Mol Name | Metronidazole |
| Molweight | 171.155 |
| Monoisotopic Mass | 171.064392 |
| Clogp | -1.0549 |
| Clogs | -0.205 |
| H Acceptors | 6 |
| H Donors | 1 |
| Total Surface Area | 131.02 |
| Relative Psa | 0.46833 |
| Polar Surface Area | 83.87 |
| Druglikeness | 0.96951 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.58333 |
| Molecular Flexibility | 0.50585 |
| Molecular Complexity | 0.70078 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 5 |
| Aromatic Nitrogens | 2 |
| Acidic Oxygens | 1 |
| Smiles | Cc(n1CCO)ncc1[N+]([O-])=O |
| InChIKey | InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
| InChI | VAOCPAMSLUNLGC-UHFFFAOYSA-N |
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1 - Metronidazole
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