2-anilino-N-[(Z)-furan-2-ylmethylideneamino]acetamide
Formula:C13H13N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-furan-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-furan-2-ylmethylideneamino]acetamide |
| MolecularFormula | C13H13N3O2 |
| Smiles | O=C(CNc1ccccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C13H13N3O2/c17-13(10-14-11-5-2-1-3-6-11)16-15-9-12-7-4-8-18-12/h1-9,14H,10H2,(H,16,17) |
| InChIK | QWULNYGKIRRUJD-UHFFFAOYSA-N |
| TotalMolweight | 243.265 |
| Molweight | 243.265 |
| MonoisotopicMass | 243.100777 |
| CLogP | 1.6822 |
| CLogS | -3.225 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 201.9 |
| Relative PSA | 0.305 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 4.8198 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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