CID 9794806
PubChem CID: 9794806
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL1255901, Selagine, (-)-huperzine A, (-)-Selagine, ZRJBHWIHUMBLCN-HZRLMBICSA-N, BDBM50342601 |
|---|---|
| Topological Polar Surface Area | 55.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 551.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one |
| Prediction Hob | 1.0 |
| Target Id | NPT204, NPT439 |
| Xlogp | 0.0 |
| Molecular Formula | C15H18N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZRJBHWIHUMBLCN-HZRLMBICSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.297 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.66 |
| Compound Name | CID 9794806 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.2883630666666663 |
| Inchi | InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15-/m0/s1 |
| Smiles | C/C=C/1\[C@@H]2CC3=C([C@@]1(CC(=C2)C)N)C=CC(=O)N3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients