6-Propyl-2,3,4,5-tetrahydropyridin-1-ium
PubChem CID: 25203721
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| Topological Polar Surface Area | 14.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 105.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-propyl-2,3,4,5-tetrahydropyridin-1-ium |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C8H16N+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | PQSOVRNZJIENNW-UHFFFAOYSA-O |
| Fcsp3 | 0.875 |
| Logs | -2.599 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.51 |
| Compound Name | 6-Propyl-2,3,4,5-tetrahydropyridin-1-ium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.128 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 126.128 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 126.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2465826 |
| Inchi | InChI=1S/C8H15N/c1-2-5-8-6-3-4-7-9-8/h2-7H2,1H3/p+1 |
| Smiles | CCCC1=[NH+]CCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Dumosa (Plant) Rel Props:Source_db:cmaup_ingredients