2,8-Dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione
PubChem CID: 163013290
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| Topological Polar Surface Area | 94.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,8-dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YNKDPCKPMPOEAQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.116 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.4 |
| Compound Name | 2,8-Dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3865879999999997 |
| Inchi | InChI=1S/C15H10O5/c16-6-9-10(17)5-4-8-12(9)15(20)13-7(14(8)19)2-1-3-11(13)18/h1-5,16-18H,6H2 |
| Smiles | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3CO)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vaccaria Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients