4-fluoro-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
Formula:C19H19N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C19H19N4O3F |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c(cc2)ccc2F)=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C19H19FN4O3/c20-16-6-4-14(5-7-16)19(25)22-21-13-15-12-17(24(26)27)8-9-18(15)23-10-2-1-3-11-23/h4-9,12-13H,1-3,10-11H2,(H,22,25) |
| InChIK | QTCGPFVKRYXWAP-UHFFFAOYSA-N |
| TotalMolweight | 370.383 |
| Molweight | 370.383 |
| MonoisotopicMass | 370.144119 |
| CLogP | 3.2138 |
| CLogS | -5.487 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 282.61 |
| Relative PSA | 0.24762 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | -2.0837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-fluoro-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide | 2 - 4-fluoro-N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
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