(1R,4R,6R,9R)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione
PubChem CID: 162937110
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 474.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,4R,6R,9R)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione |
| Prediction Hob | 0.0 |
| Xlogp | 1.5 |
| Molecular Formula | C17H25NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SJIMDGIDDDGXLI-KFZJALRRSA-N |
| Fcsp3 | 0.8823529411764706 |
| Logs | -3.761 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.527 |
| Compound Name | (1R,4R,6R,9R)-6-methyl-13-azatetracyclo[11.3.1.01,9.04,9]heptadecane-2,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 275.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 275.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.4609304 |
| Inchi | InChI=1S/C17H25NO2/c1-12-8-13-10-14(19)16-4-2-6-18(11-16)7-3-5-17(13,16)15(20)9-12/h12-13H,2-11H2,1H3/t12-,13-,16-,17+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]2CC(=O)[C@]34[C@]2(CCCN(C3)CCC4)C(=O)C1 |
| Nring | 4.0 |
| 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 Dalbergia Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Gunnera Perpensa (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Petiveria Alliacea (Plant) Rel Props:Source_db:cmaup_ingredients