(1E)-2-cyclopropyl-N-(3-fluoroanilino)-2-oxoethanimidoyl cyanide
Formula:C12H10N3OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-cyclopropyl-N-(3-fluoroanilino)-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-cyclopropyl-N-(3-fluoroanilino)-2-oxoethanimidoyl cyanide |
| MolecularFormula | C12H10N3OF |
| Smiles | N#C/C(/C(C1CC1)=O)=N\Nc1cccc(F)c1 |
| InChI | InChI=1S/C12H10FN3O/c13-9-2-1-3-10(6-9)15-16-11(7-14)12(17)8-4-5-8/h1-3,6,8,15H,4-5H2 |
| InChIK | FQLPJIOZMQKMCN-UHFFFAOYSA-N |
| TotalMolweight | 231.229 |
| Molweight | 231.229 |
| MonoisotopicMass | 231.08079 |
| CLogP | 2.6925 |
| CLogS | -3.015 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 180.02 |
| Relative PSA | 0.27536 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -2.5414 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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-(3-fluoroanilino)-2-oxoethanimidoyl cyanide | 2 - (1E)-2-cyclopropyl-N-(3-fluoroanilino)-2-oxoethanimidoyl cyanide
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