(1Z)-N-(4-fluoroanilino)-2-oxo-2-(oxolan-2-ylmethylamino)ethanimidoyl cyanide
Formula:C14H15N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-(4-fluoroanilino)-2-oxo-2-(oxolan-2-ylmethylamino)ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-fluoroanilino)-2-oxo-2-(oxolan-2-ylmethylamino)ethanimidoyl cyanide |
| MolecularFormula | C14H15N4O2F |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=N/Nc(cc1)ccc1F |
| InChI | InChI=1S/C14H15FN4O2/c15-10-3-5-11(6-4-10)18-19-13(8-16)14(20)17-9-12-2-1-7-21-12/h3-6,12,18H,1-2,7,9H2,(H,17,20)/t12-/m1/s1 |
| InChIK | DIQAXPQLWWLEAR-GFCCVEGCSA-N |
| TotalMolweight | 290.297 |
| Molweight | 290.297 |
| MonoisotopicMass | 290.117904 |
| CLogP | 1.9502 |
| CLogS | -2.729 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 229 |
| Relative PSA | 0.31017 |
| PolarSurfaceArea | 86.51 |
| Druglikeness | -2.5829 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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