Chemical Name - 2 Methyl 5 Nitroimidazole
Mol Weight - 127.103
Smiles - Cc([nH]1)ncc1[N+]([O-])=O
Mol Weight - 127.103
Smiles - Cc([nH]1)ncc1[N+]([O-])=O
| Property Value | |
| Mol Name | 2 Methyl 5 Nitroimidazole |
| Molweight | 127.103 |
| Monoisotopic Mass | 127.038177 |
| Clogp | -0.517 |
| Clogs | -1.044 |
| H Acceptors | 5 |
| H Donors | 1 |
| Total Surface Area | 97.52 |
| Relative Psa | 0.56788 |
| Polar Surface Area | 74.5 |
| Druglikeness | -4.6944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.33202 |
| Molecular Complexity | 0.77276 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 2 |
| Acidic Oxygens | 1 |
| Smiles | Cc([nH]1)ncc1[N+]([O-])=O |
| InChIKey | InChI=1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6) |
| InChI | FFYTTYVSDVWNMY-UHFFFAOYSA-N |
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1 - 2 Methyl 5 Nitroimidazole
2 - 2 Methyl 5 Nitroimidazole
1 - 2 Methyl 5 Nitroimidazole
2 - 2 Methyl 5 Nitroimidazole
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