3-(1,2,3,6-Tetrahydropyridin-2-yl)-5-tritiopyridine
PubChem CID: 11019186
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| Topological Polar Surface Area | 24.9 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(1,2,3,6-tetrahydropyridin-2-yl)-5-tritiopyridine |
| Prediction Hob | 1.0 |
| Xlogp | 0.9 |
| Molecular Formula | C10H12N2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SOPPBXUYQGUQHE-WJULDGBESA-N |
| Fcsp3 | 0.3 |
| Logs | -0.276 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.186 |
| Compound Name | 3-(1,2,3,6-Tetrahydropyridin-2-yl)-5-tritiopyridine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 162.108 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.108 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 162.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7483139055235997 |
| Inchi | InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/i3T |
| Smiles | [3H]C1=CC(=CN=C1)C2CC=CCN2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nicotiana Tabacum (Plant) Rel Props:Source_db:cmaup_ingredients