5,7,8-Trihydroxy-6-methylnaphthalene-1,2-dione
PubChem CID: 25113767
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| Topological Polar Surface Area | 94.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7,8-trihydroxy-6-methylnaphthalene-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C11H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVSRUEBLXYUKCX-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -2.94 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.87 |
| Compound Name | 5,7,8-Trihydroxy-6-methylnaphthalene-1,2-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 220.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4402159999999995 |
| Inchi | InChI=1S/C11H8O5/c1-4-8(13)5-2-3-6(12)10(15)7(5)11(16)9(4)14/h2-3,13-14,16H,1H3 |
| Smiles | CC1=C(C2=C(C(=C1O)O)C(=O)C(=O)C=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Triphyophyllum Peltatum (Plant) Rel Props:Source_db:cmaup_ingredients