4-fluoro-N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
Formula:C14H12N3O3F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C14H12N3O3F |
| Smiles | O=C(CNC(c(cc1)ccc1F)=O)N/N=C\c1ccco1 |
| InChI | InChI=1S/C14H12FN3O3/c15-11-5-3-10(4-6-11)14(20)16-9-13(19)18-17-8-12-2-1-7-21-12/h1-8H,9H2,(H,16,20)(H,18,19) |
| InChIK | FLYVPFMSLHBMEP-UHFFFAOYSA-N |
| TotalMolweight | 289.265 |
| Molweight | 289.265 |
| MonoisotopicMass | 289.08627 |
| CLogP | 1.5748 |
| CLogS | -3.484 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 226 |
| Relative PSA | 0.33018 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.8784 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 4-fluoro-N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide | 2 - 4-fluoro-N-[2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
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