(1Z)-2-cyclopropyl-2-oxo-N-[4-(trifluoromethyl)anilino]ethanimidoyl cyanide
Formula:C13H10N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-2-cyclopropyl-2-oxo-N-[4-(trifluoromethyl)anilino]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-cyclopropyl-2-oxo-N-[4-(trifluoromethyl)anilino]ethanimidoyl cyanide |
| MolecularFormula | C13H10N3OF3 |
| Smiles | N#C/C(/C(C1CC1)=O)=N/Nc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-5-10(6-4-9)18-19-11(7-17)12(20)8-1-2-8/h3-6,8,18H,1-2H2 |
| InChIK | RQMFVTNNPMZLGA-UHFFFAOYSA-N |
| TotalMolweight | 281.236 |
| Molweight | 281.236 |
| MonoisotopicMass | 281.077596 |
| CLogP | 3.44 |
| CLogS | -3.479 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 203.13 |
| Relative PSA | 0.24403 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -8.3914 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| StereoCon |
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