2-(4-chlorophenyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide
Formula:C16H12N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-chlorophenyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-chlorophenyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H12N3OCl |
| Smiles | N#Cc1ccc(/C=N\NC(Cc(cc2)ccc2Cl)=O)cc1 |
| InChI | InChI=1S/C16H12ClN3O/c17-15-7-5-12(6-8-15)9-16(21)20-19-11-14-3-1-13(10-18)2-4-14/h1-8,11H,9H2,(H,20,21) |
| InChIK | SRUQRMQXVBYCBZ-UHFFFAOYSA-N |
| TotalMolweight | 297.744 |
| Molweight | 297.744 |
| MonoisotopicMass | 297.066889 |
| CLogP | 3.6413 |
| CLogS | -5.195 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.88 |
| Relative PSA | 0.20838 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | 0.1105 |
| 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 | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 2-(4-chlorophenyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide | 2 - 2-(4-chlorophenyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]acetamide
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