1-Hydroxy-2,6-dimethoxyanthracene-9,10-dione
PubChem CID: 85951330
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| Topological Polar Surface Area | 72.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-2,6-dimethoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BPNMEZKFWZNCLT-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -0.834 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.436 |
| Compound Name | 1-Hydroxy-2,6-dimethoxyanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7896125428571423 |
| Inchi | InChI=1S/C16H12O5/c1-20-8-3-4-9-11(7-8)14(17)10-5-6-12(21-2)16(19)13(10)15(9)18/h3-7,19H,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Wallichiana (Plant) Rel Props:Source_db:cmaup_ingredients