N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
Formula:C15H13N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide |
| MolecularFormula | C15H13N4O2F |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1F)=O)NCc1cnccc1 |
| InChI | InChI=1S/C15H13FN4O2/c16-13-5-3-11(4-6-13)10-19-20-15(22)14(21)18-9-12-2-1-7-17-8-12/h1-8,10H,9H2,(H,18,21)(H,20,22) |
| InChIK | JIEHGVGYNPQRBK-UHFFFAOYSA-N |
| TotalMolweight | 300.292 |
| Molweight | 300.292 |
| MonoisotopicMass | 300.102254 |
| CLogP | 0.9532 |
| CLogS | -2.86 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.07 |
| Relative PSA | 0.30408 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 2.7079 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide | 2 - N'-[(Z)-(4-fluorophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
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