N-[(Z)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide
Formula:C15H11N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-oxo-1H-quinoline-4-carboxamide |
| MolecularFormula | C15H11N3O3 |
| Smiles | O=C(C(c(cccc1)c1N1)=CC1=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C15H11N3O3/c19-14-8-12(11-5-1-2-6-13(11)17-14)15(20)18-16-9-10-4-3-7-21-10/h1-9H,(H,17,19)(H,18,20) |
| InChIK | LTBIDTOXOVGGMC-UHFFFAOYSA-N |
| TotalMolweight | 281.27 |
| Molweight | 281.27 |
| MonoisotopicMass | 281.080042 |
| CLogP | 0.9946 |
| CLogS | -3.39 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 217.1 |
| Relative PSA | 0.34371 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.9158 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| StereoCon |
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