2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
Formula:C12H10N5O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide |
| MolecularFormula | C12H10N5O3F |
| Smiles | O=C(CC(C(N1)=O)=NNC1=O)N/N=C/c(cccc1)c1F |
| InChI | InChI=1S/C12H10FN5O3/c13-8-4-2-1-3-7(8)6-14-17-10(19)5-9-11(20)15-12(21)18-16-9/h1-4,6H,5H2,(H,17,19)(H2,15,18,20,21) |
| InChIK | ADVKCDXOPRFZHN-UHFFFAOYSA-N |
| TotalMolweight | 291.241 |
| Molweight | 291.241 |
| MonoisotopicMass | 291.076768 |
| CLogP | 0.5744 |
| CLogS | -3.675 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 215.23 |
| Relative PSA | 0.44845 |
| PolarSurfaceArea | 112.02 |
| Druglikeness | 5.6901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide | 2 - 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
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