(12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
PubChem CID: 12332293
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| Topological Polar Surface Area | 19.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 291.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H18N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OURDZMSSMGUMKR-CQSZACIVSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -3.699 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.758 |
| Compound Name | (12bR)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 226.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4178673058823525 |
| Inchi | InChI=1S/C15H18N2/c1-2-6-13-11(5-1)12-8-10-17-9-4-3-7-14(17)15(12)16-13/h1-2,5-6,14,16H,3-4,7-10H2/t14-/m1/s1 |
| Smiles | C1CCN2CCC3=C([C@H]2C1)NC4=CC=CC=C34 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Japonica (Plant) Rel Props:Source_db:cmaup_ingredients