N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
Formula:C19H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide |
| MolecularFormula | C19H20N4O3 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2ccccc2)=O)c1N1CCCCC1)=O |
| InChI | InChI=1S/C19H20N4O3/c24-19(15-7-3-1-4-8-15)21-20-14-16-13-17(23(25)26)9-10-18(16)22-11-5-2-6-12-22/h1,3-4,7-10,13-14H,2,5-6,11-12H2,(H,21,24) |
| InChIK | NSUGHVIQBHZTMG-UHFFFAOYSA-N |
| TotalMolweight | 352.393 |
| Molweight | 352.393 |
| MonoisotopicMass | 352.153541 |
| CLogP | 3.113 |
| CLogS | -5.173 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 276.26 |
| Relative PSA | 0.25331 |
| PolarSurfaceArea | 90.52 |
| Druglikeness | -0.7437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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