(5-Acetyl-1,2,3,5,6-oxatetrazinan-3-yl) acetate
PubChem CID: 162936535
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| Topological Polar Surface Area | 83.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-acetyl-1,2,3,5,6-oxatetrazinan-3-yl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | -0.5 |
| Molecular Formula | C5H10N4O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IOPQLDLYPZSAEX-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.452 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.288 |
| Compound Name | (5-Acetyl-1,2,3,5,6-oxatetrazinan-3-yl) acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 190.07 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.07 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 190.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.4996857999999999 |
| Inchi | InChI=1S/C5H10N4O4/c1-4(10)8-3-9(7-13-6-8)12-5(2)11/h6-7H,3H2,1-2H3 |
| Smiles | CC(=O)N1CN(NON1)OC(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curculigo Orchioides (Plant) Rel Props:Source_db:cmaup_ingredients