Methylzingeron
PubChem CID: 51352033
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| Compound Synonyms | Methylzingeron, SCHEMBL12775013 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)pentan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C12H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MDOAFJBLZREPFB-UHFFFAOYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -1.552 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.351 |
| Compound Name | Methylzingeron |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 208.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0988933999999997 |
| Inchi | InChI=1S/C12H16O3/c1-3-10(13)6-4-9-5-7-11(14)12(8-9)15-2/h5,7-8,14H,3-4,6H2,1-2H3 |
| Smiles | CCC(=O)CCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients