(1E)-2-cyclopropyl-N-(2,4-difluoroanilino)-2-oxoethanimidoyl cyanide
Formula:C12H9N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-cyclopropyl-N-(2,4-difluoroanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-cyclopropyl-N-(2,4-difluoroanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C12H9N3OF2 |
| Smiles | N#C/C(/C(C1CC1)=O)=N\Nc(ccc(F)c1)c1F |
| InChI | InChI=1S/C12H9F2N3O/c13-8-3-4-10(9(14)5-8)16-17-11(6-15)12(18)7-1-2-7/h3-5,7,16H,1-2H2 |
| InChIK | WGOQFUAVXNYRKC-UHFFFAOYSA-N |
| TotalMolweight | 249.219 |
| Molweight | 249.219 |
| MonoisotopicMass | 249.071368 |
| CLogP | 2.7933 |
| CLogS | -3.329 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 186.37 |
| Relative PSA | 0.26598 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -2.5414 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| StereoCon |
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1 - (1E)-2-cyclopropyl-N-(2,4-difluoroanilino)-2-oxoethanimidoyl cyanide | 2 - (1E)-2-cyclopropyl-N-(2,4-difluoroanilino)-2-oxoethanimidoyl cyanide
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