2-(3-chloroanilino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
Formula:C15H13N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-chloroanilino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-chloroanilino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H13N3OCl2 |
| Smiles | O=C(CNc1cccc(Cl)c1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H13Cl2N3O/c16-12-6-4-11(5-7-12)9-19-20-15(21)10-18-14-3-1-2-13(17)8-14/h1-9,18H,10H2,(H,20,21) |
| InChIK | WIYBNAUNPMJNDY-UHFFFAOYSA-N |
| TotalMolweight | 322.194 |
| Molweight | 322.194 |
| MonoisotopicMass | 321.043566 |
| CLogP | 3.7055 |
| CLogS | -5.015 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 243.05 |
| Relative PSA | 0.19531 |
| 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 | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(3-chloroanilino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide | 2 - 2-(3-chloroanilino)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
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