N-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]-2-cyanoacetamide
Formula:C11H10N4O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]-2-cyanoacetamide is a drug-like molecule.
| MolName | N-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]-2-cyanoacetamide |
| MolecularFormula | C11H10N4O2Cl2 |
| Smiles | N/C(/COc(ccc(Cl)c1)c1Cl)=N/NC(CC#N)=O |
| InChI | InChI=1S/C11H10Cl2N4O2/c12-7-1-2-9(8(13)5-7)19-6-10(15)16-17-11(18)3-4-14/h1-2,5H,3,6H2,(H2,15,16)(H,17,18) |
| InChIK | ZYSDGANSVGSXOG-UHFFFAOYSA-N |
| TotalMolweight | 301.132 |
| Molweight | 301.132 |
| MonoisotopicMass | 300.01808 |
| CLogP | 1.3987 |
| CLogS | -3.986 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 224.03 |
| Relative PSA | 0.33406 |
| PolarSurfaceArea | 100.5 |
| Druglikeness | -4.3504 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - N-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]-2-cyanoacetamide | 2 - N-[(E)-[1-amino-2-(2,4-dichlorophenoxy)ethylidene]amino]-2-cyanoacetamide
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