2-anilino-N-[(Z)-[(E)-4-(furan-2-yl)but-2-enylidene]amino]acetamide
Formula:C16H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-[(E)-4-(furan-2-yl)but-2-enylidene]amino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-[(E)-4-(furan-2-yl)but-2-enylidene]amino]acetamide |
| MolecularFormula | C16H17N3O2 |
| Smiles | O=C(CNc1ccccc1)N/N=C\C=C\Cc1ccco1 |
| InChI | InChI=1S/C16H17N3O2/c20-16(13-17-14-7-2-1-3-8-14)19-18-11-5-4-9-15-10-6-12-21-15/h1-8,10-12,17H,9,13H2,(H,19,20) |
| InChIK | FEFYHWRMOPJHBB-UHFFFAOYSA-N |
| TotalMolweight | 283.33 |
| Molweight | 283.33 |
| MonoisotopicMass | 283.132077 |
| CLogP | 2.026 |
| CLogS | -3.424 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 242.16 |
| Relative PSA | 0.25429 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 3.5238 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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