2,7-Dimethoxy-1,6-dimethylanthracene-9,10-dione
PubChem CID: 129703180
Connections displayed (default: 10).
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| Topological Polar Surface Area | 52.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,7-dimethoxy-1,6-dimethylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C18H16O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HKRWNLXAEREDEU-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -2.665 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.959 |
| Compound Name | 2,7-Dimethoxy-1,6-dimethylanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 296.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.179032763636363 |
| Inchi | InChI=1S/C18H16O4/c1-9-7-12-13(8-15(9)22-4)18(20)16-10(2)14(21-3)6-5-11(16)17(12)19/h5-8H,1-4H3 |
| Smiles | CC1=CC2=C(C=C1OC)C(=O)C3=C(C2=O)C=CC(=C3C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schkuhria Pinnata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Syzygium Cumini (Plant) Rel Props:Source_db:cmaup_ingredients