Chemical Name - pyrazinoicacid
Mol Weight - 124.099
Smiles - OC(c1nccnc1)=O
Mol Weight - 124.099
Smiles - OC(c1nccnc1)=O
| Property Value | |
| Mol Name | pyrazinoicacid |
| Molweight | 124.099 |
| Monoisotopic Mass | 124.027278 |
| Clogp | -0.8031 |
| Clogs | -0.063 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 94.88 |
| Relative Psa | 0.50675 |
| Polar Surface Area | 63.08 |
| Druglikeness | -1.5746 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 2 |
| Acidic Oxygens | 1 |
| Smiles | OC(c1nccnc1)=O |
| InChIKey | InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9) |
| InChI | NIPZZXUFJPQHNH-UHFFFAOYSA-N |
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