Chemical Name - 2-Pyrazinecarbonylchloride
Mol Weight - 142.545
Smiles - O=C(c1nccnc1)Cl
Mol Weight - 142.545
Smiles - O=C(c1nccnc1)Cl
| Property Value | |
| Mol Name | 2-Pyrazinecarbonylchloride |
| Molweight | 142.545 |
| Monoisotopic Mass | 141.99339 |
| Clogp | -0.365 |
| Clogs | -1.396 |
| H Acceptors | 3 |
| Total Surface Area | 103.95 |
| Relative Psa | 0.33651 |
| Polar Surface Area | 42.85 |
| Druglikeness | -10.427 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| 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 |
| Aromatic Nitrogens | 2 |
| Smiles | O=C(c1nccnc1)Cl |
| InChIKey | InChI=1S/C5H3ClN2O/c6-5(9)4-3-7-1-2-8-4/h1-3H |
| InChI | TXJKATOSKLUITR-UHFFFAOYSA-N |
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1 - 2-Pyrazinecarbonylchloride
2 - 2-Pyrazinecarbonylchloride
1 - 2-Pyrazinecarbonylchloride
2 - 2-Pyrazinecarbonylchloride
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