2-anilino-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C19H16N3O2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-anilino-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-[5-(4-fluorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H16N3O2F |
| Smiles | O=C(CNc1ccccc1)N/N=C\c1ccc(-c(cc2)ccc2F)o1 |
| InChI | InChI=1S/C19H16FN3O2/c20-15-8-6-14(7-9-15)18-11-10-17(25-18)12-22-23-19(24)13-21-16-4-2-1-3-5-16/h1-12,21H,13H2,(H,23,24) |
| InChIK | VSKGCQXERCTPSW-UHFFFAOYSA-N |
| TotalMolweight | 337.353 |
| Molweight | 337.353 |
| MonoisotopicMass | 337.122655 |
| CLogP | 3.5332 |
| CLogS | -5.317 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 268.01 |
| Relative PSA | 0.22977 |
| PolarSurfaceArea | 66.63 |
| Druglikeness | 5.6722 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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