1-Acetoxy-3-methoxy-9,10-anthraquinone
PubChem CID: 21679724
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL3723343, 1-acetoxy-3-methoxy-9,10-anthraquinone |
|---|---|
| Topological Polar Surface Area | 69.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 485.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3-methoxy-9,10-dioxoanthracen-1-yl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C17H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HNMHRPAXQIQISF-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -5.539 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.557 |
| Compound Name | 1-Acetoxy-3-methoxy-9,10-anthraquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 296.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5142599636363636 |
| Inchi | InChI=1S/C17H12O5/c1-9(18)22-14-8-10(21-2)7-13-15(14)17(20)12-6-4-3-5-11(12)16(13)19/h3-8H,1-2H3 |
| Smiles | CC(=O)OC1=CC(=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients