2-(5-hydroxy-1H-indol-3-yl)ethyl-dimethylazanium
PubChem CID: 6918943
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 208.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(5-hydroxy-1H-indol-3-yl)ethyl-dimethylazanium |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C12H17N2O+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | VTTONGPRPXSUTJ-UHFFFAOYSA-O |
| Fcsp3 | 0.3333333333333333 |
| Logs | -1.491 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.062 |
| Compound Name | 2-(5-hydroxy-1H-indol-3-yl)ethyl-dimethylazanium |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 205.134 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 205.134 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 205.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3/p+1 |
| Smiles | C[NH+](C)CCC1=CNC2=C1C=C(C=C2)O |
| 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