3-fluoro-N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H13N4O5F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-fluoro-N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 3-fluoro-N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H13N4O5F |
| Smiles | [O-][N+](c(ccc(/C=N\NC(CNC(c1cccc(F)c1)=O)=O)c1)c1O)=O |
| InChI | InChI=1S/C16H13FN4O5/c17-12-3-1-2-11(7-12)16(24)18-9-15(23)20-19-8-10-4-5-13(21(25)26)14(22)6-10/h1-8,22H,9H2,(H,18,24)(H,20,23) |
| InChIK | ZTFRGNYPSGDGOW-UHFFFAOYSA-N |
| TotalMolweight | 360.3 |
| Molweight | 360.3 |
| MonoisotopicMass | 360.086999 |
| CLogP | 1.1188 |
| CLogS | -3.966 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 266.33 |
| Relative PSA | 0.39061 |
| PolarSurfaceArea | 136.61 |
| Druglikeness | -1.1349 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-fluoro-N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 3-fluoro-N-[2-[(2Z)-2-[(3-hydroxy-4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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