8,9-dimethoxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium
PubChem CID: 10105261
Connections displayed (default: 10).
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| Topological Polar Surface Area | 22.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 271.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,9-dimethoxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H16NO2+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | BHUXEEVRLQFWKE-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.149 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.824 |
| Compound Name | 8,9-dimethoxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 230.118 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 230.118 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 230.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.171273517647059 |
| Inchi | InChI=1S/C14H16NO2/c1-16-13-8-10-5-7-15-6-3-4-12(15)11(10)9-14(13)17-2/h5,7-9H,3-4,6H2,1-2H3/q+1 |
| Smiles | COC1=C(C=C2C3=[N+](CCC3)C=CC2=C1)OC |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Archidendron Lucidum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Brachychiton Populneum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Chrysocoma Peduncularis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cucumis Myriocarpus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Euphorbia Sieboldiana (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Narthecium Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Passiflora Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Passiflora Foetida (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Phebalium Ambiens (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Stachyurus Himalaicus (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Tripterygium Regelii (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Tsuga Diversifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Vernonanthura Pinguis (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Veronica Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Wedelia Scaberrima (Plant) Rel Props:Source_db:cmaup_ingredients