Chemical Name - Pyrazinamide
Mol Weight - 123.115
Smiles - NC(c1nccnc1)=O
Mol Weight - 123.115
Smiles - NC(c1nccnc1)=O
| Property Value | |
| Mol Name | Pyrazinamide |
| Molweight | 123.115 |
| Monoisotopic Mass | 123.043262 |
| Clogp | -1.2009 |
| Clogs | -0.139 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 97.05 |
| Relative Psa | 0.51777 |
| Polar Surface Area | 68.87 |
| Druglikeness | -0.67966 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.4098 |
| Molecular Complexity | 0.72259 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| Smiles | NC(c1nccnc1)=O |
| InChIKey | InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) |
| InChI | IPEHBUMCGVEMRF-UHFFFAOYSA-N |
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1 - Pyrazinamide
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