Cytisine, tetrahydro-12-methyl-
PubChem CID: 565989
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| Compound Synonyms | Cytisine, tetrahydro-12-methyl-, 18161-95-0, 11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one, 1,2,3,4,5,6,9,10,11,11a-Decahydro-3-methyl-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, ONDDMIQCYQALKD-UHFFFAOYSA-N, 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, decahydro-3-methyl- |
|---|---|
| Topological Polar Surface Area | 23.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-methyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C12H20N2O |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONDDMIQCYQALKD-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -0.729 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.482 |
| Compound Name | Cytisine, tetrahydro-12-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 208.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.158 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 208.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5535909999999997 |
| Inchi | InChI=1S/C12H20N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h9-11H,2-8H2,1H3 |
| Smiles | CN1CC2CC(C1)C3CCCC(=O)N3C2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tinospora Hainanensis (Plant) Rel Props:Source_db:cmaup_ingredients