(4S,5R,6S)-5-hydroxy-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione
PubChem CID: 12068803
Connections displayed (default: 10).
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| Topological Polar Surface Area | 57.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 468.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4S,5R,6S)-5-hydroxy-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C16H23NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NJPBGCJLNRAYQD-YNZJMPHRSA-N |
| Fcsp3 | 0.75 |
| Logs | -1.215 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.725 |
| Compound Name | (4S,5R,6S)-5-hydroxy-6-methyl-9-azatricyclo[7.4.3.04,13]hexadec-1(13)-ene-2,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 277.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 277.168 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 277.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7360567999999994 |
| Inchi | InChI=1S/C16H23NO3/c1-10-8-15(19)17-6-2-4-11-12(5-3-7-17)14(18)9-13(11)16(10)20/h10,13,16,20H,2-9H2,1H3/t10-,13-,16+/m0/s1 |
| Smiles | C[C@H]1CC(=O)N2CCCC3=C(CCC2)C(=O)C[C@@H]3[C@@H]1O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Huperzia Serrata (Plant) Rel Props:Source_db:cmaup_ingredients