4-anilino-N-[(Z)-furan-2-ylmethylideneamino]butanamide
Formula:C15H17N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-anilino-N-[(Z)-furan-2-ylmethylideneamino]butanamide is a drug-like molecule.
| MolName | 4-anilino-N-[(Z)-furan-2-ylmethylideneamino]butanamide |
| MolecularFormula | C15H17N3O2 |
| Smiles | O=C(CCCNc1ccccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C15H17N3O2/c19-15(18-17-12-14-8-5-11-20-14)9-4-10-16-13-6-2-1-3-7-13/h1-3,5-8,11-12,16H,4,9-10H2,(H,18,19) |
| InChIK | KCLSXGHFZWEXGC-UHFFFAOYSA-N |
| TotalMolweight | 271.319 |
| Molweight | 271.319 |
| MonoisotopicMass | 271.132077 |
| CLogP | 2.591 |
| CLogS | -3.765 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 229.42 |
| Relative PSA | 0.26842 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 4.0175 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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