(1R)-1-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6,10,11-trione
PubChem CID: 147007780
Connections displayed (default: 10).
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| Topological Polar Surface Area | 60.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 573.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1R)-1-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6,10,11-trione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATHHAQAGQXKWAU-QMMMGPOBSA-N |
| Fcsp3 | 0.3529411764705882 |
| Logs | -5.568 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.296 |
| Compound Name | (1R)-1-methyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-6,10,11-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8411575714285706 |
| Inchi | InChI=1S/C17H14O4/c1-8-7-21-17-11-6-5-9-10(3-2-4-12(9)18)14(11)16(20)15(19)13(8)17/h5-6,8H,2-4,7H2,1H3/t8-/m0/s1 |
| Smiles | C[C@H]1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4=O |
| 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