bis(1H-indol-3-ylmethyl)-dimethylazanium
PubChem CID: 1071977
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| Compound Synonyms | BAS 04055114, AKOS000548862 |
|---|---|
| Topological Polar Surface Area | 31.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 372.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | bis(1H-indol-3-ylmethyl)-dimethylazanium |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C20H22N3+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | LYHDOUDUNMQXAY-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | 0.226 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.046 |
| Compound Name | bis(1H-indol-3-ylmethyl)-dimethylazanium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.181 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 304.181 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 304.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.260115834782608 |
| Inchi | InChI=1S/C20H22N3/c1-23(2,13-15-11-21-19-9-5-3-7-17(15)19)14-16-12-22-20-10-6-4-8-18(16)20/h3-12,21-22H,13-14H2,1-2H3/q+1 |
| Smiles | C[N+](C)(CC1=CNC2=CC=CC=C21)CC3=CNC4=CC=CC=C43 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arundo Donax (Plant) Rel Props:Source_db:cmaup_ingredients