(1R,4S,6S,8S)-6,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one
PubChem CID: 6326009
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 60.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,4S,6S,8S)-6,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C16H25NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SWDKDXWGADMDSP-URNAPBMCSA-N |
| Fcsp3 | 0.9375 |
| Logs | -1.798 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.552 |
| Compound Name | (1R,4S,6S,8S)-6,8-dihydroxy-6-methyl-13-azatetracyclo[7.7.0.01,13.04,9]hexadecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 279.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 279.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 279.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8619559999999995 |
| Inchi | InChI=1S/C16H25NO3/c1-14(20)9-11-8-12(18)16-5-3-7-17(16)6-2-4-15(11,16)13(19)10-14/h11,13,19-20H,2-10H2,1H3/t11-,13+,14+,15?,16+/m1/s1 |
| Smiles | C[C@@]1(C[C@H]2CC(=O)[C@@]34C2(CCCN3CCC4)[C@H](C1)O)O |
| 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