4-Hydroxy-6,7,8-trimethoxy-3-methylnaphthalene-1,2-dione
PubChem CID: 56934018
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| Compound Synonyms | CHEMBL1915222 |
|---|---|
| Topological Polar Surface Area | 82.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 455.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-6,7,8-trimethoxy-3-methylnaphthalene-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C14H14O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AXVINYAYKYPJJJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.526 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.222 |
| Compound Name | 4-Hydroxy-6,7,8-trimethoxy-3-methylnaphthalene-1,2-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 278.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 278.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5909119999999994 |
| Inchi | InChI=1S/C14H14O6/c1-6-10(15)7-5-8(18-2)13(19-3)14(20-4)9(7)12(17)11(6)16/h5,15H,1-4H3 |
| Smiles | CC1=C(C2=CC(=C(C(=C2C(=O)C1=O)OC)OC)OC)O |
| 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