16-Azabicyclo[10.3.1]hexadeca-1(16),12,14-triene
PubChem CID: 5316410
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| Compound Synonyms | 16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene, 2,6-Decamethylene pyridine, 4432-68-2, DTXSID70415703, CHEBI:228975 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 160.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-azabicyclo[10.3.1]hexadeca-1(16),12,14-triene |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C15H23N |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZPIVPVXEUAVNR-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.395 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.941 |
| Compound Name | 16-Azabicyclo[10.3.1]hexadeca-1(16),12,14-triene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 217.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 217.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 217.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.728507199999999 |
| Inchi | InChI=1S/C15H23N/c1-2-4-6-8-11-15-13-9-12-14(16-15)10-7-5-3-1/h9,12-13H,1-8,10-11H2 |
| Smiles | C1CCCCCC2=CC=CC(=N2)CCCC1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients