Trimethyl(2-Phenoxyethyl)Azanium
PubChem CID: 9725
Connections displayed (default: 10).
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| Compound Synonyms | trimethyl(2-phenoxyethyl)azanium, CHEMBL209891, N,N,N-trimethyl-2-phenoxyethanaminium, 6779-86-8, SCHEMBL9182123, DTXSID40274501, BDBM50188956, AKOS040824765, n,n,n-trimethyl-2-phenoxyethanaminium bromide |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 134.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q05941 |
| Iupac Name | trimethyl(2-phenoxyethyl)azanium |
| Prediction Hob | 0.0 |
| Xlogp | 1.9 |
| Molecular Formula | C11H18NO+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | VCXBSHBJVUIQHJ-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | 0.576 |
| Rotatable Bond Count | 4.0 |
| Logd | -0.449 |
| Compound Name | Trimethyl(2-Phenoxyethyl)Azanium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.139 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 180.139 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 180.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.232218661538462 |
| Inchi | InChI=1S/C11H18NO/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1 |
| Smiles | C[N+](C)(C)CCOC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Chimonanthus Fragrans (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Narcissus Tazetta (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Paederia Scandens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all