Chemical Name - 5-Ethyl-1h-1,2,3,4-Tetrazole
Mol Weight - 98.1086
Smiles - CCc1nnn[nH]1
Mol Weight - 98.1086
Smiles - CCc1nnn[nH]1
| Property Value | |
| Mol Name | 5-Ethyl-1h-1,2,3,4-Tetrazole |
| Molweight | 98.1086 |
| Monoisotopic Mass | 98.059246 |
| Clogp | -0.068 |
| Clogs | -0.54 |
| H Acceptors | 4 |
| H Donors | 1 |
| Total Surface Area | 85.13 |
| Relative Psa | 0.55092 |
| Polar Surface Area | 54.46 |
| Druglikeness | -0.0064037 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.71429 |
| Molecular Flexibility | 0.47877 |
| Molecular Complexity | 0.76753 |
| Fragments | 1 |
| Non H Atoms | 7 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 4 |
| Smiles | CCc1nnn[nH]1 |
| InChIKey | InChI=1S/C3H6N4/c1-2-3-4-6-7-5-3/h2H2,1H3,(H,4,5,6,7) |
| InChI | KYRMPMCAOPMOIR-UHFFFAOYSA-N |
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1 - 5-Ethyl-1h-1,2,3,4-Tetrazole
2 - 5-Ethyl-1h-1,2,3,4-Tetrazole
1 - 5-Ethyl-1h-1,2,3,4-Tetrazole
2 - 5-Ethyl-1h-1,2,3,4-Tetrazole
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