Chiloscypha-2,7-dione
PubChem CID: 10513764
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| Compound Synonyms | chiloscypha-2,7-dione, CHEMBL462804 |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 430.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,7S,7aS)-7,7a-dimethyl-1-(2-methylprop-2-enoyl)-2,3,6,7-tetrahydro-1H-inden-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H20O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UQEVJIYDECNMHF-PSOPSSQASA-N |
| Fcsp3 | 0.6 |
| Logs | -2.288 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.96 |
| Compound Name | Chiloscypha-2,7-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 232.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 232.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.5785025999999998 |
| Inchi | InChI=1S/C15H20O2/c1-9(2)14(17)13-6-5-11-8-12(16)7-10(3)15(11,13)4/h8,10,13H,1,5-7H2,2-4H3/t10-,13+,15+/m0/s1 |
| Smiles | C[C@H]1CC(=O)C=C2[C@@]1([C@H](CC2)C(=O)C(=C)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chiloscyphus Rivularis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all