Hydroxynorcytisine
PubChem CID: 25171260
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Hydroxynorcytisine, NS00094237 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 359.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,9S)-5-hydroxy-7,11-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C10H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AFTDVOKQJZAVLI-BQBZGAKWSA-N |
| Fcsp3 | 0.5 |
| Logs | -2.181 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.497 |
| Compound Name | Hydroxynorcytisine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 192.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 192.09 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 192.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.783594457142857 |
| Inchi | InChI=1S/C10H12N2O2/c13-9-2-1-8-7-3-6(4-11-7)5-12(8)10(9)14/h1-2,6-7,11,13H,3-5H2/t6-,7-/m0/s1 |
| Smiles | C1[C@H]2CN[C@@H]1C3=CC=C(C(=O)N3C2)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Amaranthus Spinosus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Piper Dilatatum (Plant) Rel Props:Source_db:cmaup_ingredients