15-Azabicyclo[9.3.1]pentadeca-1(15),11,13-triene
PubChem CID: 5320193
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| Compound Synonyms | 2,6-Nonamethylene pyridine, 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene, CHEBI:228977 |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-azabicyclo[9.3.1]pentadeca-1(15),11,13-triene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C14H21N |
| Prediction Swissadme | 0.0 |
| Inchi Key | QBGSZFGDIXJTOI-UHFFFAOYSA-N |
| Fcsp3 | 0.6428571428571429 |
| Logs | -4.809 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.775 |
| Compound Name | 15-Azabicyclo[9.3.1]pentadeca-1(15),11,13-triene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 203.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 203.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 203.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3198398 |
| Inchi | InChI=1S/C14H21N/c1-2-4-6-9-13-11-8-12-14(15-13)10-7-5-3-1/h8,11-12H,1-7,9-10H2 |
| Smiles | C1CCCCC2=NC(=CC=C2)CCCC1 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isodon Rubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients