(4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one
PubChem CID: 129757
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| Topological Polar Surface Area | 20.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Is Pains | False |
| Molecular Formula | C10H17NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | CSVASSXLPBSZKN-RKDXNWHRSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (4aR,8aS)-2-methyl-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 167.131 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 167.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 167.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4124624 |
| Inchi | InChI=1S/C10H17NO/c1-11-6-5-9-8(7-11)3-2-4-10(9)12/h8-9H,2-7H2,1H3/t8-,9-/m1/s1 |
| Smiles | CN1CC[C@@H]2[C@@H](C1)CCCC2=O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sophora Moorcroftiana (Plant) Rel Props:Source_db:cmaup_ingredients