Hexahydroxy-2,3-naphthalenedione
PubChem CID: 135409398
Connections displayed (default: 10).
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| Compound Synonyms | Hexahydroxy-2,3-naphthalenedione, SCHEMBL9641503, 2,3,5,6,7,8-hexahydroxy-1,4-naphthoquinone, Q5748802 |
|---|---|
| Topological Polar Surface Area | 156.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 401.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,5,6,7,8-hexahydroxynaphthalene-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 0.8 |
| Molecular Formula | C10H6O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUQPQFLYDCXMGX-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.171 |
| Rotatable Bond Count | 0.0 |
| Logd | -1.424 |
| Compound Name | Hexahydroxy-2,3-naphthalenedione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 254.006 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.006 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 254.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1915966666666664 |
| Inchi | InChI=1S/C10H6O8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12/h11,13,15-18H |
| Smiles | C12=C(C(=C(C(=C1O)O)O)O)C(=O)C(=C(C2=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Senecio Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Setaria Italica (Plant) Rel Props:Source_db:cmaup_ingredients