Chemical Name - Trichloroisocyanuric Acid
Mol Weight - 232.41
Smiles - O=C(N(C(N(C1=O)Cl)=O)Cl)N1Cl
Mol Weight - 232.41
Smiles - O=C(N(C(N(C1=O)Cl)=O)Cl)N1Cl
| Property Value | |
| Mol Name | Trichloroisocyanuric Acid |
| Molweight | 232.41 |
| Monoisotopic Mass | 230.900523 |
| Clogp | -4.4625 |
| Clogs | -2.264 |
| H Acceptors | 6 |
| Total Surface Area | 130.41 |
| Relative Psa | 0.38164 |
| Polar Surface Area | 60.93 |
| Druglikeness | -1.2882 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.5 |
| Molecular Flexibility | 0.3168 |
| Molecular Complexity | 0.69828 |
| Fragments | 1 |
| Non H Atoms | 12 |
| Non Ch Atoms | 9 |
| Electronegative Atoms | 9 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 8 |
| Smiles | O=C(N(C(N(C1=O)Cl)=O)Cl)N1Cl |
| InChIKey | InChI=1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11 |
| InChI | YRIZYWQGELRKNT-UHFFFAOYSA-N |
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