9-Ethyl-8-methoxyfuro[2,3-b]quinolin-4-one
PubChem CID: 86029253
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 42.7 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 333.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-ethyl-8-methoxyfuro[2,3-b]quinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H13NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NYRFIEXUGCQNIN-UHFFFAOYSA-N |
| Fcsp3 | 0.2142857142857142 |
| Logs | -4.16 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.531 |
| Compound Name | 9-Ethyl-8-methoxyfuro[2,3-b]quinolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 243.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 243.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 243.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1572688444444434 |
| Inchi | InChI=1S/C14H13NO3/c1-3-15-12-9(5-4-6-11(12)17-2)13(16)10-7-8-18-14(10)15/h4-8H,3H2,1-2H3 |
| Smiles | CCN1C2=C(C=CC=C2OC)C(=O)C3=C1OC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Chalepensis (Plant) Rel Props:Source_db:cmaup_ingredients