2-anilino-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
Formula:C15H14N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H14N3OCl |
| Smiles | O=C(CNc1ccccc1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H14ClN3O/c16-13-8-6-12(7-9-13)10-18-19-15(20)11-17-14-4-2-1-3-5-14/h1-10,17H,11H2,(H,19,20) |
| InChIK | KKLRIROOVQRHHX-UHFFFAOYSA-N |
| TotalMolweight | 287.749 |
| Molweight | 287.749 |
| MonoisotopicMass | 287.082539 |
| CLogP | 3.0995 |
| CLogS | -4.279 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.63 |
| Relative PSA | 0.20854 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 5.0457 |
| Mutagenic | none |
| 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 | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-anilino-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-anilino-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
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