8-Hydroxy-2-methoxynaphthalene-1,4-dione
PubChem CID: 609303
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| Compound Synonyms | 8-hydroxy-2-methoxynaphthalene-1,4-dione, 15254-76-9, 1,4-Naphthalenedione, 8-hydroxy-2-methoxy-, 8-Hydroxy-2-methoxy-1,4-naphthalenedione, 1,4-Naphthoquinone, 8-hydroxy-2-methoxy-, 3-Methoxyjuglone, 8-Hydroxy-2-methoxy-1,4-naphthoquinone, SCHEMBL5174769, CHEMBL2204407, DTXSID90346065, HOFSOQDUZIZMBA-UHFFFAOYSA-N, 8-Hydroxy-2-methoxynaphthoquinone # |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-2-methoxynaphthalene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C11H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HOFSOQDUZIZMBA-UHFFFAOYSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -2.854 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.555 |
| Compound Name | 8-Hydroxy-2-methoxynaphthalene-1,4-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 | -2.3124222 |
| Inchi | InChI=1S/C11H8O4/c1-15-9-5-8(13)6-3-2-4-7(12)10(6)11(9)14/h2-5,12H,1H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)C(=CC=C2)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Engelhardia Roxburghiana (Plant) Rel Props:Source_db:npass_chem_all