(1Z)-2-cyclopropyl-2-oxo-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide
Formula:C13H10N3O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-2-cyclopropyl-2-oxo-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-cyclopropyl-2-oxo-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide |
| MolecularFormula | C13H10N3O2F3 |
| Smiles | N#C/C(/C(C1CC1)=O)=N/Nc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C13H10F3N3O2/c14-13(15,16)21-10-5-3-9(4-6-10)18-19-11(7-17)12(20)8-1-2-8/h3-6,8,18H,1-2H2 |
| InChIK | ZZKHBSLWDHIXAH-UHFFFAOYSA-N |
| TotalMolweight | 297.235 |
| Molweight | 297.235 |
| MonoisotopicMass | 297.072511 |
| CLogP | 3.6907 |
| CLogS | -3.724 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 213.13 |
| Relative PSA | 0.2795 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -9.2675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| StereoCon |
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