10-Demethylflavasperone-10-sulfate
PubChem CID: 5465366
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | NSC646851, 10-DEMETHYLFLAVASPERONE-10-SULFATE, NSC-646851, (5-hydroxy-8-methoxy-2-methyl-4-oxo-benzo[h]chromen-10-yl) hydrogen sulfate, 5-Hydroxy-8-methoxy-2-methyl-4-oxo-4H-benzo[h]chromen-10-yl hydrogen sulfate |
|---|---|
| Topological Polar Surface Area | 128.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5-hydroxy-8-methoxy-2-methyl-4-oxobenzo[h]chromen-10-yl) hydrogen sulfate |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H12O8S |
| Prediction Swissadme | 0.0 |
| Inchi Key | VNCBXISCBOHKSC-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -2.154 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.973 |
| Compound Name | 10-Demethylflavasperone-10-sulfate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 352.025 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 352.025 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 352.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2660506666666667 |
| Inchi | InChI=1S/C15H12O8S/c1-7-3-10(16)14-11(17)5-8-4-9(21-2)6-12(23-24(18,19)20)13(8)15(14)22-7/h3-6,17H,1-2H3,(H,18,19,20) |
| Smiles | CC1=CC(=O)C2=C(O1)C3=C(C=C(C=C3C=C2O)OC)OS(=O)(=O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Wikstroemia Monticola (Plant) Rel Props:Source_db:cmaup_ingredients