Chemical Name - Ornidazole
Mol Weight - 219.627
Smiles - Cc(n1CC(CCl)O)ncc1[N+]([O-])=O
Mol Weight - 219.627
Smiles - Cc(n1CC(CCl)O)ncc1[N+]([O-])=O
| Property Value | |
| Mol Name | Ornidazole |
| Molweight | 219.627 |
| Monoisotopic Mass | 219.041069 |
| Clogp | -0.4663 |
| Clogs | -0.984 |
| H Acceptors | 6 |
| H Donors | 1 |
| Total Surface Area | 158.94 |
| Relative Psa | 0.38606 |
| Polar Surface Area | 83.87 |
| Druglikeness | 1.8208 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.57871 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 7 |
| Electronegative Atoms | 7 |
| Stereo Centers | 1 |
| Rotatable Bonds | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 6 |
| Aromatic Nitrogens | 2 |
| Acidic Oxygens | 1 |
| Smiles | Cc(n1CC(CCl)O)ncc1[N+]([O-])=O |
| InChIKey | InChI=1S/C7H10ClN3O3/c1-5-9-3-7(11(13)14)10(5)4-6(12)2-8/h3,6,12H,2,4H2,1H3 |
| InChI | IPWKIXLWTCNBKN-UHFFFAOYSA-N |
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