Physcion-d3
PubChem CID: 46782753
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| Compound Synonyms | Physcion-d3, 1215751-27-1, 1,8-dihydroxy-3-methyl-6-(trideuteriomethoxy)anthracene-9,10-dione, 1,8-dihydroxy-3-((2)H)methoxy-6-methyl-9,10-dihydroanthracene-9,10-dione, SCHEMBL16226896, HY-N0108S, DTXSID90676112, DA-76846, CS-0650856, 1,8-Dihydroxy-3-methyl-6-[(~2~H_3_)methyloxy]anthracene-9,10-dione |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 3.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-dihydroxy-3-methyl-6-(trideuteriomethoxy)anthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FFWOKTFYGVYKIR-BMSJAHLVSA-N |
| Fcsp3 | 0.125 |
| Logs | -6.733 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.375 |
| Compound Name | Physcion-d3 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 287.087 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 287.087 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 287.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.827226035927943 |
| Inchi | InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3/i2D3 |
| Smiles | [2H]C([2H])([2H])OC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonum Cuspidatum (Plant) Rel Props:Source_db:cmaup_ingredients