7-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4,8-dimethoxyfuro[2,3-b]quinoline
PubChem CID: 163035693
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 7-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4,8-dimethoxyfuro[2,3-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C18H19NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZFZSGUNUXDDUOD-ZDUSSCGKSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -4.036 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.785 |
| Compound Name | 7-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]-4,8-dimethoxyfuro[2,3-b]quinoline |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 329.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 329.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 329.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.937315733333334 |
| Inchi | InChI=1S/C18H19NO5/c1-18(2)13(24-18)9-23-12-6-5-10-14(16(12)21-4)19-17-11(7-8-22-17)15(10)20-3/h5-8,13H,9H2,1-4H3/t13-/m0/s1 |
| Smiles | CC1([C@@H](O1)COC2=C(C3=C(C=C2)C(=C4C=COC4=N3)OC)OC)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bistorta Manshuriensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Swietenia Mahagoni (Plant) Rel Props:Source_db:cmaup_ingredients