6,7-Dimethoxy-2-methylnaphthalene-1,4-dione
PubChem CID: 57393805
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| Compound Synonyms | CHEMBL1915224, SCHEMBL12822188 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,7-dimethoxy-2-methylnaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C13H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBUBPDVUFFFDOK-UHFFFAOYSA-N |
| Fcsp3 | 0.2307692307692307 |
| Logs | -3.648 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.135 |
| Compound Name | 6,7-Dimethoxy-2-methylnaphthalene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 232.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7572334705882353 |
| Inchi | InChI=1S/C13H12O4/c1-7-4-10(14)8-5-11(16-2)12(17-3)6-9(8)13(7)15/h4-6H,1-3H3 |
| Smiles | CC1=CC(=O)C2=CC(=C(C=C2C1=O)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