Base information
| Cat. No. | |
| CAS No. | 1187594-09-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H17N7O2S |
| Molecular Weight | 371.417 |
| Exact Mass | 371.116 |
| XLogP3 | 2.11438 |
| Mr | 98.5067 |
| PSA | 128.94 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 46 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | N#CCC1(CN(C1)S(=O)(=O)CC)n1ncc(c1)c1ncnc2c1cc[nH]2 |
