1,5-Dichloro-4,6-dioxo-1,3,5-triazin-2-olate
PubChem CID: 3614338
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| Compound Synonyms | 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate, 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3-dichloro-, sodium salt, 1,5-dichloro-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olate, BBL011567, STL146739, AKOS005721022, NCGC00164091-02, AB01563157_01 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | CEJLBZWIKQJOAT-UHFFFAOYSA-M |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Compound Name | 1,5-Dichloro-4,6-dioxo-1,3,5-triazin-2-olate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 195.932 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 195.932 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 196.95 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5-dichloro-4,6-dioxo-1,3,5-triazin-2-olate |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -3.600469763636364 |
| Inchi | InChI=1S/C3HCl2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)/p-1 |
| Smiles | C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-] |
| Xlogp | 1.4 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C3Cl2N3O3- |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients