N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide
Formula:C17H19N5O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(4-phenylpiperazin-1-yl)acetamide |
| MolecularFormula | C17H19N5O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CN(CC2)CCN2c2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C17H19N5O4/c23-16(19-18-12-15-6-7-17(26-15)22(24)25)13-20-8-10-21(11-9-20)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,19,23) |
| InChIK | CAZAGSKJTOEERZ-UHFFFAOYSA-N |
| TotalMolweight | 357.369 |
| Molweight | 357.369 |
| MonoisotopicMass | 357.143705 |
| CLogP | 0.3169 |
| CLogS | -3.755 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 276.25 |
| Relative PSA | 0.31725 |
| PolarSurfaceArea | 106.9 |
| Druglikeness | 6.8229 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 2 |
| AlkylAmines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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