5,8-Dihydroxy-2,3-dihydronaphthalene-1,4-dione
PubChem CID: 10965344
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| Compound Synonyms | 5,8-dihydroxy-2,3-dihydronaphthalene-1,4-dione, 4988-51-6, 1,4-Naphthalenedione, 2,3-dihydro-5,8-dihydroxy-, CTK1D0318, 2.3-Dihydro-naphthazarin, SCHEMBL13568681, DTXSID40450045, 5,8-dihydroxytetralin-1,4-dione, AKOS022505654, A827266, 5,8-bis(oxidanyl)-2,3-dihydronaphthalene-1,4-dione |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 245.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8-dihydroxy-2,3-dihydronaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C10H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HQFIIOPDBQMRIE-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.003 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.404 |
| Compound Name | 5,8-Dihydroxy-2,3-dihydronaphthalene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 192.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.262096857142857 |
| Inchi | InChI=1S/C10H8O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2,11-12H,3-4H2 |
| Smiles | C1CC(=O)C2=C(C=CC(=C2C1=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Asarum Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Juglans Mandshurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients