2-cyano-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
Formula:C10H7N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C10H7N3OCl2 |
| Smiles | N#CCC(N/N=C\c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C10H7Cl2N3O/c11-8-2-1-7(9(12)5-8)6-14-15-10(16)3-4-13/h1-2,5-6H,3H2,(H,15,16) |
| InChIK | PVVANSGUIINNPC-UHFFFAOYSA-N |
| TotalMolweight | 256.092 |
| Molweight | 256.092 |
| MonoisotopicMass | 254.996616 |
| CLogP | 2.6698 |
| CLogS | -4.441 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 193.54 |
| Relative PSA | 0.25612 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -2.8495 |
| 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 | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
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