3-fluoro-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
Formula:C15H13N4O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-fluoro-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide is a drug-like molecule.
| MolName | 3-fluoro-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide |
| MolecularFormula | C15H13N4O2F |
| Smiles | O=C(CNC(c1cccc(F)c1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C15H13FN4O2/c16-13-5-1-4-12(7-13)15(22)18-10-14(21)20-19-9-11-3-2-6-17-8-11/h1-9H,10H2,(H,18,22)(H,20,21) |
| InChIK | FPBVKSCONITDFD-UHFFFAOYSA-N |
| TotalMolweight | 300.292 |
| Molweight | 300.292 |
| MonoisotopicMass | 300.102254 |
| CLogP | 1.3852 |
| CLogS | -3.007 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 235.07 |
| Relative PSA | 0.30408 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.9887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| 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 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-fluoro-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide | 2 - 3-fluoro-N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]benzamide
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