6-Hydroxy-9-methylfuro[2,3-b]quinolin-4(9H)-one
PubChem CID: 5316663
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| Compound Synonyms | 221457-19-8, C12H9NO3, 6-Hydroxy-9-methylfuro[2,3-b]quinolin-4(9H)-one, Furo[2,3-b]quinolin-4(9H)-one, 6-hydroxy-9-methyl-, DB-276588 |
|---|---|
| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-9-methylfuro[2,3-b]quinolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C12H9NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | USBRXKRFIPTWNC-UHFFFAOYSA-N |
| Fcsp3 | 0.0833333333333333 |
| Logs | -3.513 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.945 |
| Compound Name | 6-Hydroxy-9-methylfuro[2,3-b]quinolin-4(9H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 215.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 215.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 215.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7915395999999997 |
| Inchi | InChI=1S/C12H9NO3/c1-13-10-3-2-7(14)6-9(10)11(15)8-4-5-16-12(8)13/h2-6,14H,1H3 |
| Smiles | CN1C2=C(C=C(C=C2)O)C(=O)C3=C1OC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dictamnus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients