(1Z)-N-(3-chloro-4-fluoroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide
Formula:C12H9N3OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-(3-chloro-4-fluoroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(3-chloro-4-fluoroanilino)-2-cyclopropyl-2-oxoethanimidoyl cyanide |
| MolecularFormula | C12H9N3OClF |
| Smiles | N#C/C(/C(C1CC1)=O)=N/Nc(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C12H9ClFN3O/c13-9-5-8(3-4-10(9)14)16-17-11(6-15)12(18)7-1-2-7/h3-5,7,16H,1-2H2 |
| InChIK | ASMOGBXCIAPJFO-UHFFFAOYSA-N |
| TotalMolweight | 265.674 |
| Molweight | 265.674 |
| MonoisotopicMass | 265.041817 |
| CLogP | 3.2985 |
| CLogS | -3.751 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 195.44 |
| Relative PSA | 0.25363 |
| PolarSurfaceArea | 65.25 |
| Druglikeness | -2.4987 |
| 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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