2-(4,7,8-Trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl)propan-2-ol
PubChem CID: 4486242
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| Topological Polar Surface Area | 61.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4,7,8-trimethoxy-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 | C18H24NO5+ |
| Prediction Swissadme | 1.0 |
| Inchi Key | JMTFDAITMMIATI-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.727 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.715 |
| Compound Name | 2-(4,7,8-Trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl)propan-2-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 334.165 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 334.165 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 334.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8107304 |
| Inchi | InChI=1S/C18H24NO5/c1-18(2,20)13-9-11-15(22-5)10-7-8-12(21-4)16(23-6)14(10)19(3)17(11)24-13/h7-8,13,20H,9H2,1-6H3/q+1 |
| Smiles | CC(C)(C1CC2=C(C3=C(C(=C(C=C3)OC)OC)[N+](=C2O1)C)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ventilago Leiocarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Vepris Louisii (Plant) Rel Props:Source_db:cmaup_ingredients