Chemical Name - Tolytriazole
Mol Weight - 133.154
Smiles - Cc1cccc2n[nH]nc12
Mol Weight - 133.154
Smiles - Cc1cccc2n[nH]nc12
| Property Value | |
| Mol Name | Tolytriazole |
| Molweight | 133.154 |
| Monoisotopic Mass | 133.063997 |
| Clogp | 0.9821 |
| Clogs | -1.918 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 107.21 |
| Relative Psa | 0.33514 |
| Polar Surface Area | 41.57 |
| Druglikeness | 1.1978 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.5 |
| Molecular Complexity | 0.77424 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 3 |
| Smiles | Cc1cccc2n[nH]nc12 |
| InChIKey | InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10) |
| InChI | CMGDVUCDZOBDNL-UHFFFAOYSA-N |
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