6,9-Dimethoxy-[1,3]dioxolo[4,5-b]quinoline
PubChem CID: 10775978
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 275.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C12H11NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JOYNNZYGFVXVEZ-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.505 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.052 |
| Compound Name | 6,9-Dimethoxy-[1,3]dioxolo[4,5-b]quinoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 233.069 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 233.069 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 233.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.025676717647058 |
| Inchi | InChI=1S/C12H11NO4/c1-14-7-3-4-8-9(5-7)13-12-11(10(8)15-2)16-6-17-12/h3-5H,6H2,1-2H3 |
| Smiles | COC1=CC2=C(C=C1)C(=C3C(=N2)OCO3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracocephalum Moldavicum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Smilax Sieboldii (Plant) Rel Props:Source_db:cmaup_ingredients