dioncoquinone D
PubChem CID: 136116882
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| Compound Synonyms | dioncoquinone D, CHEMBL1915216 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 440.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6-dihydroxy-3,7-dimethoxy-2-methylnaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C13H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BEFMRHZSTDQCFR-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -2.771 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.827 |
| Compound Name | dioncoquinone D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 264.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7265288105263155 |
| Inchi | InChI=1S/C13H12O6/c1-5-9(14)6-4-7(18-2)10(15)11(16)8(6)12(17)13(5)19-3/h4,15-16H,1-3H3 |
| Smiles | CC1=C(C(=O)C2=C(C(=C(C=C2C1=O)OC)O)O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Triphyophyllum Peltatum (Plant) Rel Props:Source_db:cmaup_ingredients