Gramine, N-oxide
PubChem CID: 230284
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| Compound Synonyms | GRAMINE, N-OXIDE, 17206-03-0, 1-(1H-indol-3-yl)-N,N-dimethylmethanamine oxide, NSC24939, DTXSID50938086, NSC-24939, (1H-Indol-3-yl)-N,N-dimethylmethanamine N-oxide |
|---|---|
| Topological Polar Surface Area | 33.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 205.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1H-indol-3-yl)-N,N-dimethylmethanamine oxide |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C11H14N2O |
| Prediction Swissadme | 1.0 |
| Inchi Key | GHUNMFJGWZLOFB-UHFFFAOYSA-N |
| Fcsp3 | 0.2727272727272727 |
| Logs | 0.655 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.024 |
| Compound Name | Gramine, N-oxide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 190.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.111 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 190.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1381394857142855 |
| Inchi | InChI=1S/C11H14N2O/c1-13(2,14)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3 |
| Smiles | C[N+](C)(CC1=CNC2=CC=CC=C21)[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