2,6-Dihydroxy-1,3-dimethoxyanthracene-9,10-dione
PubChem CID: 15118826
Connections displayed (default: 10).
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| Topological Polar Surface Area | 93.1 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 464.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6-dihydroxy-1,3-dimethoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZOTYVTMFTQVAFY-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.322 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.259 |
| Compound Name | 2,6-Dihydroxy-1,3-dimethoxyanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.296285563636364 |
| Inchi | InChI=1S/C16H12O6/c1-21-11-6-10-12(16(22-2)15(11)20)14(19)8-4-3-7(17)5-9(8)13(10)18/h3-6,17,20H,1-2H3 |
| Smiles | COC1=C(C(=C2C(=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morinda Citrifolia (Plant) Rel Props:Source_db:cmaup_ingredients