7,13-Diazatetracyclo[7.7.1.02,7.013,17]heptadec-1-en-6-one
PubChem CID: 5316459
Connections displayed (default: 10).
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| Topological Polar Surface Area | 23.6 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-1-en-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Molecular Formula | C15H22N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDDHEMJXKBELBO-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -1.617 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.939 |
| Compound Name | 7,13-Diazatetracyclo[7.7.1.02,7.013,17]heptadec-1-en-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.173 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 246.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8839947999999995 |
| Inchi | InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11,15H,1-10H2 |
| Smiles | C1CC2CN3C(=C4C2N(C1)CCC4)CCCC3=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Conyza Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients