(1R,2R,10S,11S,12S,13R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
PubChem CID: 14589222
Connections displayed (default: 10).
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| Topological Polar Surface Area | 43.7 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1R,2R,10S,11S,12S,13R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol |
| Prediction Hob | 0.0 |
| Xlogp | 1.7 |
| Molecular Formula | C16H27NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OCUUNZFHCCKHPB-OTFNZQRDSA-N |
| Fcsp3 | 1.0 |
| Logs | -2.698 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.65 |
| Compound Name | (1R,2R,10S,11S,12S,13R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 265.39 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.575311 |
| Inchi | InChI=1S/C16H27NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h10-15,18-19H,2-9H2,1H3/t10-,11-,12-,13-,14+,15+,16-/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]2[C@H]3CCCN4[C@@]3(C1)[C@H](CCC4)[C@@H]([C@H]2O)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