1,6,6-Trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione
PubChem CID: 85086900
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 642.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6,6-trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C19H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FUWBBIWGILZPAC-UHFFFAOYSA-N |
| Fcsp3 | 0.4210526315789473 |
| Logs | -4.13 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.199 |
| Compound Name | 1,6,6-Trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5511072782608695 |
| Inchi | InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,9H,6-8H2,1-3H3 |
| Smiles | CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3C(=O)CCC4(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients