| MolName | N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C11H10N5OF |
| Smiles | O=C(Cn1ncnc1)N/N=C\c(cc1)ccc1F |
| InChI | InChI=1S/C11H10FN5O/c12-10-3-1-9(2-4-10)5-14-16-11(18)6-17-8-13-7-15-17/h1-5,7-8H,6H2,(H,16,18) |
| InChIK | SYRDOYQFDHHZSZ-UHFFFAOYSA-N |
| TotalMolweight | 247.232 |
| Molweight | 247.232 |
| MonoisotopicMass | 247.086938 |
| CLogP | 0.7356 |
| CLogS | -2.646 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 193.82 |
| Relative PSA | 0.33443 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 5.1459 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide | 2 - N-[(Z)-(4-fluorophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide