3-Ethyl-1-hydroxyanthracene-9,10-dione
PubChem CID: 11107822
Connections displayed (default: 10).
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| Topological Polar Surface Area | 54.4 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethyl-1-hydroxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C16H12O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SPSWRIOYEJHQJQ-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -2.557 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.01 |
| Compound Name | 3-Ethyl-1-hydroxyanthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 252.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 252.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 252.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.527036221052631 |
| Inchi | InChI=1S/C16H12O3/c1-2-9-7-12-14(13(17)8-9)16(19)11-6-4-3-5-10(11)15(12)18/h3-8,17H,2H2,1H3 |
| Smiles | CCC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3C2=O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Cordifolia (Plant) Rel Props:Source_db:cmaup_ingredients