2-[(2R)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol
PubChem CID: 11281047
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| Topological Polar Surface Area | 42.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-[(2R)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C16H20NO3+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | HXSFUGOHWOKESA-CYBMUJFWSA-N |
| Fcsp3 | 0.4375 |
| Logs | -3.612 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.842 |
| Compound Name | 2-[(2R)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 274.144 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 274.144 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 274.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.645208 |
| Inchi | InChI=1S/C16H20NO3/c1-16(2,18)13-9-11-14(19-4)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13,18H,9H2,1-4H3/q+1/t13-/m1/s1 |
| Smiles | CC(C)([C@H]1CC2=C(C3=CC=CC=C3[N+](=C2O1)C)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platycodon Grandiflorus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients