4,7-Dihydroxy-3-methylnaphthalene-1,2-dione
PubChem CID: 56934022
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| Compound Synonyms | CHEMBL1915225, SCHEMBL23271681 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 356.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dihydroxy-3-methylnaphthalene-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C11H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DJOLXSSNQUBWBM-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -3.416 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.267 |
| Compound Name | 4,7-Dihydroxy-3-methylnaphthalene-1,2-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 204.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9311222 |
| Inchi | InChI=1S/C11H8O4/c1-5-9(13)7-3-2-6(12)4-8(7)11(15)10(5)14/h2-4,12-13H,1H3 |
| Smiles | CC1=C(C2=C(C=C(C=C2)O)C(=O)C1=O)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