(1R,4aS,8aS)-8a-deuterio-7-methyl-4-methylidene-1-propan-2-yl-1,2,3,4a,5,6-hexahydronaphthalene
PubChem CID: 10512446
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 282.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,4aS,8aS)-8a-deuterio-7-methyl-4-methylidene-1-propan-2-yl-1,2,3,4a,5,6-hexahydronaphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WRHGORWNJGOVQY-UHTQFYIKSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.177 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.666 |
| Compound Name | (1R,4aS,8aS)-8a-deuterio-7-methyl-4-methylidene-1-propan-2-yl-1,2,3,4a,5,6-hexahydronaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 205.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 205.194 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 205.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7625512310235996 |
| Inchi | InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1/i15D |
| Smiles | [2H][C@]12C=C(CC[C@@H]1C(=C)CC[C@@H]2C(C)C)C |
| Nring | 10.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Japonica (Plant) Rel Props:Source_db:cmaup_ingredients