5-Hydroxy-6-methoxy-2-methylnaphthalene-1,4-dione
PubChem CID: 10751275
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| Compound Synonyms | SCHEMBL10401558 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-6-methoxy-2-methylnaphthalene-1,4-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Is Pains | True |
| Molecular Formula | C12H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NJXMSERYVIMGTB-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.123 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.95 |
| Compound Name | 5-Hydroxy-6-methoxy-2-methylnaphthalene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.058 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 218.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 218.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6580896 |
| Inchi | InChI=1S/C12H10O4/c1-6-5-8(13)10-7(11(6)14)3-4-9(16-2)12(10)15/h3-5,15H,1-2H3 |
| Smiles | CC1=CC(=O)C2=C(C1=O)C=CC(=C2O)OC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Polygonum Aviculare (Plant) Rel Props:Source_db:cmaup_ingredients