5-N-Butylquindolinium Hydrobromide
PubChem CID: 10808087
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL495065, 5-N-Butylquindolinium Hydrobromide |
|---|---|
| Topological Polar Surface Area | 19.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 355.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-butyl-10H-indolo[3,2-b]quinolin-5-ium, bromide |
| Prediction Hob | 1.0 |
| Molecular Formula | C19H19BrN2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYNGIAQSRZWTMX-UHFFFAOYSA-N |
| Fcsp3 | 0.2105263157894736 |
| Logs | -6.779 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.62 |
| Compound Name | 5-N-Butylquindolinium Hydrobromide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.073 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.073 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 355.3 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.102047981818181 |
| Inchi | InChI=1S/C19H18N2.BrH/c1-2-3-12-21-18-11-7-4-8-14(18)13-17-19(21)15-9-5-6-10-16(15)20-17, /h4-11,13H,2-3,12H2,1H3, 1H |
| Smiles | CCCC[N+]1=C2C3=CC=CC=C3NC2=CC4=CC=CC=C41.[Br-] |
| 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