(1E)-N-[2-(2,4-dichlorophenoxy)anilino]-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
Formula:C19H16N4O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(1E)-N-[2-(2,4-dichlorophenoxy)anilino]-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide is not a drug-like molecule.
| MolName | (1E)-N-[2-(2,4-dichlorophenoxy)anilino]-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide |
| MolecularFormula | C19H16N4O2Cl2 |
| Smiles | N#C/C(/C(N1CCCC1)=O)=N\Nc(cccc1)c1Oc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C19H16Cl2N4O2/c20-13-7-8-17(14(21)11-13)27-18-6-2-1-5-15(18)23-24-16(12-22)19(26)25-9-3-4-10-25/h1-2,5-8,11,23H,3-4,9-10H2 |
| InChIK | BHKUKZSGCULQKB-UHFFFAOYSA-N |
| TotalMolweight | 403.268 |
| Molweight | 403.268 |
| MonoisotopicMass | 402.06503 |
| CLogP | 5.2147 |
| CLogS | -5.823 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.59 |
| Relative PSA | 0.21069 |
| PolarSurfaceArea | 77.72 |
| Druglikeness | 1.6163 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (1E)-N-[2-(2,4-dichlorophenoxy)anilino]-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide | 2 - (1E)-N-[2-(2,4-dichlorophenoxy)anilino]-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
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