6,8-dihydroxy-2-(4-hydroxyphenyl)-4H-naphthalen-1-one
PubChem CID: 45052307
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| Compound Synonyms | SCHEMBL11921338 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 409.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,8-dihydroxy-2-(4-hydroxyphenyl)-4H-naphthalen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GMTRAJSDPMKWDN-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.412 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.925 |
| Compound Name | 6,8-dihydroxy-2-(4-hydroxyphenyl)-4H-naphthalen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9917616000000002 |
| Inchi | InChI=1S/C16H12O4/c17-11-4-1-9(2-5-11)13-6-3-10-7-12(18)8-14(19)15(10)16(13)20/h1-2,4-8,17-19H,3H2 |
| Smiles | C1C=C(C(=O)C2=C1C=C(C=C2O)O)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Teucrium Betonicum (Plant) Rel Props:Source_db:cmaup_ingredients