6-Ethyl-2,3,5,8-tetrahydroxy-1,4-naphthoquinone
PubChem CID: 137240473
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 6-ethyl-2,3,5,8-tetrahydroxy-1,4-naphthoquinone |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 426.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-ethyl-2,3,5,8-tetrahydroxynaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C12H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WXALYZVJGPQUET-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -2.444 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.816 |
| Compound Name | 6-Ethyl-2,3,5,8-tetrahydroxy-1,4-naphthoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 250.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 250.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 250.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0524438666666667 |
| Inchi | InChI=1S/C12H10O6/c1-2-4-3-5(13)6-7(8(4)14)10(16)12(18)11(17)9(6)15/h3,13-14,17-18H,2H2,1H3 |
| Smiles | CCC1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Howii (Plant) Rel Props:Source_db:cmaup_ingredients