Chemical Name - 1-Allyl Imidazole
Mol Weight - 108.144
Smiles - C=CCn1cncc1
Mol Weight - 108.144
Smiles - C=CCn1cncc1
| Property Value | |
| Mol Name | 1-Allyl Imidazole |
| Molweight | 108.144 |
| Monoisotopic Mass | 108.068748 |
| Clogp | 0.4775 |
| Clogs | -0.308 |
| H Acceptors | 2 |
| Total Surface Area | 99.52 |
| Relative Psa | 0.17926 |
| Polar Surface Area | 17.82 |
| Druglikeness | 0.6475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Molecular Flexibility | 0.61643 |
| Molecular Complexity | 0.64124 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 2 |
| Basic Nitrogens | 1 |
| Smiles | C=CCn1cncc1 |
| InChIKey | InChI=1S/C6H8N2/c1-2-4-8-5-3-7-6-8/h2-3,5-6H,1,4H2 |
| InChI | XLXCHZCQTCBUOX-UHFFFAOYSA-N |
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