Chemical Name - 2,5-Dimethylazole
Mol Weight - 95.1445
Smiles - Cc1ccc(C)[nH]1
Mol Weight - 95.1445
Smiles - Cc1ccc(C)[nH]1
| Property Value | |
| Mol Name | 2,5-Dimethylazole |
| Molweight | 95.1445 |
| Monoisotopic Mass | 95.073499 |
| Clogp | 1.1779 |
| Clogs | -1.376 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 87.35 |
| Relative Psa | 0.16016 |
| Polar Surface Area | 15.79 |
| Druglikeness | 0.50309 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Complexity | 0.73241 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 3 |
| Aromatic Nitrogens | 1 |
| Smiles | Cc1ccc(C)[nH]1 |
| InChIKey | InChI=1S/C6H9N/c1-5-3-4-6(2)7-5/h3-4,7H,1-2H3 |
| InChI | PAPNRQCYSFBWDI-UHFFFAOYSA-N |
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1 - 2,5-Dimethylazole
2 - 2,5-Dimethylazole
1 - 2,5-Dimethylazole
2 - 2,5-Dimethylazole
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