5,7-Dimethoxy-9-methylfuro[2,3-b]quinolin-4-one
PubChem CID: 21763832
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 51.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 361.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dimethoxy-9-methylfuro[2,3-b]quinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C14H13NO4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CERGIBRKVLXZNW-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -3.393 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.428 |
| Compound Name | 5,7-Dimethoxy-9-methylfuro[2,3-b]quinolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 259.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 259.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 259.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.020433989473684 |
| Inchi | InChI=1S/C14H13NO4/c1-15-10-6-8(17-2)7-11(18-3)12(10)13(16)9-4-5-19-14(9)15/h4-7H,1-3H3 |
| Smiles | CN1C2=C(C(=CC(=C2)OC)OC)C(=O)C3=C1OC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Hirta (Plant) Rel Props:Source_db:cmaup_ingredients