(1R,2R,10S,13S,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one
PubChem CID: 22525190
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 379.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,2R,10S,13S,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob | 0.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H25NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCZFSDNVXODRAJ-ZHMBSYLPSA-N |
| Fcsp3 | 0.9375 |
| Logs | -3.724 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.664 |
| Compound Name | (1R,2R,10S,13S,15S)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 247.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 247.194 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 247.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0117179999999992 |
| Inchi | InChI=1S/C16H25NO/c1-11-8-12-9-15(18)14-5-3-7-17-6-2-4-13(12)16(14,17)10-11/h11-14H,2-10H2,1H3/t11-,12-,13+,14+,16+/m0/s1 |
| Smiles | C[C@H]1C[C@H]2CC(=O)[C@H]3CCCN4[C@]3(C1)[C@@H]2CCC4 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Laurifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Petiveria Alliacea (Plant) Rel Props:Source_db:cmaup_ingredients