5-Hydroxy-2,6-dimethoxyxanthen-9-one
PubChem CID: 12133313
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 65.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2,6-dimethoxyxanthen-9-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Is Pains | False |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MFXGHYSTFDEGTO-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 5-Hydroxy-2,6-dimethoxyxanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8606872 |
| Inchi | InChI=1S/C15H12O5/c1-18-8-3-5-11-10(7-8)13(16)9-4-6-12(19-2)14(17)15(9)20-11/h3-7,17H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Securidaca Inappendiculata (Plant) Rel Props:Source_db:cmaup_ingredients