6-(2-Hydroxyethyl)-2-[[6-(2-hydroxyethyl)-1-oxo-2,3-dihydroinden-5-yl]methyl]-5,7-dimethyl-2,3-dihydroinden-1-one
PubChem CID: 5319871
Connections displayed (default: 10).
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| Topological Polar Surface Area | 74.6 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(2-hydroxyethyl)-2-[[6-(2-hydroxyethyl)-1-oxo-2,3-dihydroinden-5-yl]methyl]-5,7-dimethyl-2,3-dihydroinden-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SVZNWKSSPDZCCD-UHFFFAOYSA-N |
| Fcsp3 | 0.44 |
| Logs | -4.514 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.62 |
| Compound Name | 6-(2-Hydroxyethyl)-2-[[6-(2-hydroxyethyl)-1-oxo-2,3-dihydroinden-5-yl]methyl]-5,7-dimethyl-2,3-dihydroinden-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.250075896551725 |
| Inchi | InChI=1S/C25H28O4/c1-14-9-19-12-20(25(29)24(19)15(2)21(14)6-8-27)11-18-10-17-3-4-23(28)22(17)13-16(18)5-7-26/h9-10,13,20,26-27H,3-8,11-12H2,1-2H3 |
| Smiles | CC1=CC2=C(C(=C1CCO)C)C(=O)C(C2)CC3=C(C=C4C(=C3)CCC4=O)CCO |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Monachosorum Flagellare (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Monachosorum Henryi (Plant) Rel Props:Source_db:cmaup_ingredients