5,6,7-Trimethoxy-2-methylnaphthalene-1,4-dione
PubChem CID: 57397351
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL1915221 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 414.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6,7-trimethoxy-2-methylnaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C14H14O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GGWKJOGZKWMDCA-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -3.272 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.868 |
| Compound Name | 5,6,7-Trimethoxy-2-methylnaphthalene-1,4-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 262.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 262.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5979024105263155 |
| Inchi | InChI=1S/C14H14O5/c1-7-5-9(15)11-8(12(7)16)6-10(17-2)13(18-3)14(11)19-4/h5-6H,1-4H3 |
| Smiles | CC1=CC(=O)C2=C(C(=C(C=C2C1=O)OC)OC)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