CID 16058156
PubChem CID: 16058156
Connections displayed (default: 10).
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| Compound Synonyms | HY-127001 |
|---|---|
| Topological Polar Surface Area | 24.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 329.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H22N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JJPMUZRSJKMFRK-JXFSHQFZSA-N |
| Fcsp3 | 0.6875 |
| Logs | -2.282 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.54 |
| Compound Name | CID 16058156 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2399358666666664 |
| Inchi | InChI=1S/C16H22N2/c1-11-8-12-9-15-14(5-2-6-17-15)16(10-11)13(12)4-3-7-18-16/h2,5-6,11-13,18H,3-4,7-10H2,1H3/t11-,12-,13-,16+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]2CC3=C(C=CC=N3)[C@]4(C1)[C@@H]2CCCN4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycopodium Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients