2-(4,5-Dihydroxy-2-methoxyphenyl)-6,7-dimethoxychromen-4-one
PubChem CID: 162971139
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| Topological Polar Surface Area | 94.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 520.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4,5-dihydroxy-2-methoxyphenyl)-6,7-dimethoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C18H16O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DIFUSYXXQWTKKD-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -3.831 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.615 |
| Compound Name | 2-(4,5-Dihydroxy-2-methoxyphenyl)-6,7-dimethoxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 344.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 344.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1860778000000005 |
| Inchi | InChI=1S/C18H16O7/c1-22-14-7-13(21)12(20)4-10(14)15-6-11(19)9-5-17(23-2)18(24-3)8-16(9)25-15/h4-8,20-21H,1-3H3 |
| Smiles | COC1=CC(=C(C=C1C2=CC(=O)C3=CC(=C(C=C3O2)OC)OC)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hibiscus Mutabilis (Plant) Rel Props:Source_db:cmaup_ingredients