(E)-N-(furan-2-ylmethyl)-3-quinolin-3-ylprop-2-enamide
Formula:C17H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(furan-2-ylmethyl)-3-quinolin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(furan-2-ylmethyl)-3-quinolin-3-ylprop-2-enamide |
| MolecularFormula | C17H14N2O2 |
| Smiles | O=C(/C=C/c1cc2ccccc2nc1)NCc1ccco1 |
| InChI | InChI=1S/C17H14N2O2/c20-17(19-12-15-5-3-9-21-15)8-7-13-10-14-4-1-2-6-16(14)18-11-13/h1-11H,12H2,(H,19,20) |
| InChIK | FYCACGGNHRQOPR-UHFFFAOYSA-N |
| TotalMolweight | 278.31 |
| Molweight | 278.31 |
| MonoisotopicMass | 278.105528 |
| CLogP | 2.3504 |
| CLogS | -3.702 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 225.54 |
| Relative PSA | 0.21983 |
| PolarSurfaceArea | 55.13 |
| Druglikeness | 0.2424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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