2-(Ethoxymethyl)-1,3,5-trihydroxyanthracene-9,10-dione
PubChem CID: 15138537
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| Topological Polar Surface Area | 104.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 478.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(ethoxymethyl)-1,3,5-trihydroxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHINKCSFCHRRBG-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.284 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.916 |
| Compound Name | 2-(Ethoxymethyl)-1,3,5-trihydroxyanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8163035565217394 |
| Inchi | InChI=1S/C17H14O6/c1-2-23-7-10-12(19)6-9-14(17(10)22)15(20)8-4-3-5-11(18)13(8)16(9)21/h3-6,18-19,22H,2,7H2,1H3 |
| Smiles | CCOCC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Ingens (Plant) Rel Props:Source_db:cmaup_ingredients