(E)-2-cyano-3-(furan-2-yl)-N-quinolin-5-ylprop-2-enamide
Formula:C17H11N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(furan-2-yl)-N-quinolin-5-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(furan-2-yl)-N-quinolin-5-ylprop-2-enamide |
| MolecularFormula | C17H11N3O2 |
| Smiles | N#C/C(/C(Nc1cccc2ncccc12)=O)=C\c1ccco1 |
| InChI | InChI=1S/C17H11N3O2/c18-11-12(10-13-4-3-9-22-13)17(21)20-16-7-1-6-15-14(16)5-2-8-19-15/h1-10H,(H,20,21) |
| InChIK | YVAONURECLOWOW-UHFFFAOYSA-N |
| TotalMolweight | 289.293 |
| Molweight | 289.293 |
| MonoisotopicMass | 289.085127 |
| CLogP | 2.493 |
| CLogS | -4.158 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 231.7 |
| Relative PSA | 0.27251 |
| PolarSurfaceArea | 78.92 |
| Druglikeness | -2.0176 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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