1-Hydroxy-6-methoxy-2-methylanthracene-9,10-dione
PubChem CID: 85978965
Connections displayed (default: 10).
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| Topological Polar Surface Area | 63.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 419.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-6-methoxy-2-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZCTCGTFXFYPWNX-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.962 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.887 |
| Compound Name | 1-Hydroxy-6-methoxy-2-methylanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0232616 |
| Inchi | InChI=1S/C16H12O4/c1-8-3-5-11-13(14(8)17)16(19)10-6-4-9(20-2)7-12(10)15(11)18/h3-7,17H,1-2H3 |
| Smiles | CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)OC)O |
| 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