1,6-Dihydroxy-2,4-dimethoxyanthraquinone
PubChem CID: 126726
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| Compound Synonyms | 1,6-Dihydroxy-2,4-dimethoxyanthraquinone, 142878-33-9, 1,6-Ddma, 1,6-dihydroxy-2,4-dimethoxyanthracene-9,10-dione, DTXSID30162206, 9,10-Anthracenedione, 1,6-dihydroxy-2,4-dimethoxy-, SCHEMBL3271823, DTXCID5084697 |
|---|---|
| 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 | 1,6-dihydroxy-2,4-dimethoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AZOVYGVUYZKMOP-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.62 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.511 |
| Compound Name | 1,6-Dihydroxy-2,4-dimethoxyanthraquinone |
| 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 | -3.6427855636363637 |
| Inchi | InChI=1S/C16H12O6/c1-21-10-6-11(22-2)16(20)13-12(10)15(19)9-5-7(17)3-4-8(9)14(13)18/h3-6,17,20H,1-2H3 |
| Smiles | COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3)O)O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Ingens (Plant) Rel Props:Source_db:cmaup_ingredients