Sedinine Hydrochloride
PubChem CID: 433994
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| Compound Synonyms | Sedinine Hydrochloride, NSC340267, 77784-08-8, 1-[2-(2-hydroxy-2-phenylethyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol, DTXSID70330962, NSC-340267 |
|---|---|
| Topological Polar Surface Area | 43.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[2-(2-hydroxy-2-phenylethyl)-1-methyl-3,6-dihydro-2H-pyridin-6-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C17H25NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OLFGPECRQXQUAG-UHFFFAOYSA-N |
| Fcsp3 | 0.5294117647058824 |
| Logs | -1.605 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.071 |
| Compound Name | Sedinine Hydrochloride |
| Prediction Hob Swissadme | 1.0 |
| 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 | -2.9262304 |
| Inchi | InChI=1S/C17H25NO2/c1-13(19)11-15-9-6-10-16(18(15)2)12-17(20)14-7-4-3-5-8-14/h3-9,13,15-17,19-20H,10-12H2,1-2H3 |
| Smiles | CC(CC1C=CCC(N1C)CC(C2=CC=CC=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Phedimus Aizoon (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sedum Acre (Plant) Rel Props:Source_db:cmaup_ingredients