2-(1H-indol-3-yl)ethyl-trimethylazanium
PubChem CID: 5316904
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| Compound Synonyms | N,N,N-trimethyltryptamine, 2-(1H-indol-3-yl)ethyl-trimethylazanium, SCHEMBL23057390, NCGC00488612-01 |
|---|---|
| Topological Polar Surface Area | 15.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1H-indol-3-yl)ethyl-trimethylazanium |
| Prediction Hob | 0.0 |
| Xlogp | 2.5 |
| Molecular Formula | C13H19N2+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | GSEZLPZNHGYZRC-UHFFFAOYSA-N |
| Fcsp3 | 0.3846153846153846 |
| Logs | 0.737 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.353 |
| Compound Name | 2-(1H-indol-3-yl)ethyl-trimethylazanium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 203.155 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 203.155 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 203.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4175158 |
| Inchi | InChI=1S/C13H19N2/c1-15(2,3)9-8-11-10-14-13-7-5-4-6-12(11)13/h4-7,10,14H,8-9H2,1-3H3/q+1 |
| Smiles | C[N+](C)(C)CCC1=CNC2=CC=CC=C21 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Desmodium Gangeticum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Desmodium Pulchellum (Plant) Rel Props:Source_db:cmaup_ingredients