5-N-Propylquindolinium Iodide
PubChem CID: 10786480
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| Compound Synonyms | 5-N-Propylquindolinium Iodide, CHEMBL494863 |
|---|---|
| Topological Polar Surface Area | 19.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 342.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-propyl-10H-indolo[3,2-b]quinolin-5-ium, iodide |
| Prediction Hob | 1.0 |
| Molecular Formula | C18H17IN2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UASWBXDESPKJGK-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -6.553 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.378 |
| Compound Name | 5-N-Propylquindolinium Iodide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.044 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.044 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 388.2 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.103610019047618 |
| Inchi | InChI=1S/C18H16N2.HI/c1-2-11-20-17-10-6-3-7-13(17)12-16-18(20)14-8-4-5-9-15(14)19-16, /h3-10,12H,2,11H2,1H3, 1H |
| Smiles | CCC[N+]1=C2C3=CC=CC=C3NC2=CC4=CC=CC=C41.[I-] |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients