CID 433961
PubChem CID: 433961
Connections displayed (default: 10).
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| Compound Synonyms | Kopsanone, DTXSID80330958, NSC340072, Q15426242 |
|---|---|
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 633.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,14-diazaheptacyclo[12.5.3.01,13.04,12.04,18.06,11.012,16]docosa-6,8,10-trien-17-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C20H22N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | RFDVSXYPLPEIGZ-UHFFFAOYSA-N |
| Fcsp3 | 0.65 |
| Logs | -2.641 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.36 |
| Compound Name | CID 433961 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 306.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.350279278260869 |
| Inchi | InChI=1S/C20H22N2O/c23-16-13-10-18-6-3-9-22-11-14(16)20(17(18)22)12-4-1-2-5-15(12)21-19(13,20)8-7-18/h1-2,4-5,13-14,17,21H,3,6-11H2 |
| Smiles | C1CC23CCC45C(C2)C(=O)C6C4(C3N(C1)C6)C7=CC=CC=C7N5 |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Fruticosa (Plant) Rel Props:Source_db:cmaup_ingredients