2-(4-chlorophenyl)-N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C20H14N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(4-chlorophenyl)-N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H14N3O2Cl |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\NC(Cc(cc2)ccc2Cl)=O)o1 |
| InChI | InChI=1S/C20H14ClN3O2/c21-16-7-5-14(6-8-16)11-20(25)24-23-13-17-9-10-19(26-17)18-4-2-1-3-15(18)12-22/h1-10,13H,11H2,(H,24,25) |
| InChIK | PIRGHKLIPYPIPC-UHFFFAOYSA-N |
| TotalMolweight | 363.803 |
| Molweight | 363.803 |
| MonoisotopicMass | 363.077454 |
| CLogP | 4.5802 |
| CLogS | -6.655 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 287.33 |
| Relative PSA | 0.22163 |
| PolarSurfaceArea | 78.39 |
| Druglikeness | 2.2074 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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