(3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
PubChem CID: 6542165
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| Compound Synonyms | CHEMBL4464416 |
|---|---|
| Topological Polar Surface Area | 40.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 272.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C10H14N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BKASXWPLSXFART-OCAPTIKFSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.049 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.766 |
| Compound Name | (3R,9S)-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.106 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1072508 |
| Inchi | InChI=1S/C10H14N2O2/c13-9-7-3-1-5-11(7)10(14)8-4-2-6-12(8)9/h7-8H,1-6H2/t7-,8+ |
| Smiles | C1C[C@@H]2C(=O)N3CCC[C@H]3C(=O)N2C1 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pinellia Pedatisecta (Plant) Rel Props:Source_db:cmaup_ingredients