Aponorhyoscine
PubChem CID: 5319581
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| Compound Synonyms | Aponorhyoscine, 25650-56-0, 3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-phenylprop-2-enoate |
|---|---|
| Topological Polar Surface Area | 50.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-phenylprop-2-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C16H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UPWMWFSEBOFTNA-UHFFFAOYSA-N |
| Fcsp3 | 0.4375 |
| Logs | -2.856 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.604 |
| Compound Name | Aponorhyoscine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 271.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 271.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8220591999999995 |
| Inchi | InChI=1S/C16H17NO3/c1-9(10-5-3-2-4-6-10)16(18)19-11-7-12-14-15(20-14)13(8-11)17-12/h2-6,11-15,17H,1,7-8H2 |
| Smiles | C=C(C1=CC=CC=C1)C(=O)OC2CC3C4C(O4)C(C2)N3 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients