2,3,5,8-Tetrahydroxy-1,4-naphthoquinone
PubChem CID: 135543374
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| Compound Synonyms | 2,3,5,8-tetrahydroxy-1,4-naphthoquinone, Oprea1_337611, SCHEMBL5818577, CHEMBL4746953, 476-54-0, 2,3,5,8-TETRAHYDROXYNAPHTHALENE-1,4-DIONE |
|---|---|
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 349.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,5,8-tetrahydroxynaphthalene-1,4-dione |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 1.6 |
| Is Pains | True |
| Molecular Formula | C10H6O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MECWRBUQZSSVHC-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 0.0 |
| Compound Name | 2,3,5,8-Tetrahydroxy-1,4-naphthoquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.016 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 222.016 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 222.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4713423999999993 |
| Inchi | InChI=1S/C10H6O6/c11-3-1-2-4(12)6-5(3)7(13)9(15)10(16)8(6)14/h1-2,11-12,15-16H |
| Smiles | C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Goniothalamus Howii (Plant) Rel Props:Source_db:cmaup_ingredients