(5-Hydroxy-6,10-dimethoxy-4-oxo-2-propylbenzo[h]chromen-8-yl) hydrogen sulfate
PubChem CID: 101293593
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 137.0 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 713.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-hydroxy-6,10-dimethoxy-4-oxo-2-propylbenzo[h]chromen-8-yl) hydrogen sulfate |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C18H18O9S |
| Prediction Swissadme | 0.0 |
| Inchi Key | BNOQAFUDIFHJOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -2.075 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.645 |
| Compound Name | (5-Hydroxy-6,10-dimethoxy-4-oxo-2-propylbenzo[h]chromen-8-yl) hydrogen sulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 410.067 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 410.067 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 410.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8452800000000007 |
| Inchi | InChI=1S/C18H18O9S/c1-4-5-9-7-12(19)15-16(20)17(25-3)11-6-10(27-28(21,22)23)8-13(24-2)14(11)18(15)26-9/h6-8,20H,4-5H2,1-3H3,(H,21,22,23) |
| Smiles | CCCC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3OC)OS(=O)(=O)O)C(=C2O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asimina Triloba (Plant) Rel Props:Source_db:cmaup_ingredients