N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide
Formula:C12H11N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-(5-oxo-1,4-dihydropyrazol-3-yl)acetamide |
| MolecularFormula | C12H11N5O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(CC(C2)=NNC2=O)=O)ccc1)=O |
| InChI | InChI=1S/C12H11N5O4/c18-11(5-9-6-12(19)16-14-9)15-13-7-8-2-1-3-10(4-8)17(20)21/h1-4,7H,5-6H2,(H,15,18)(H,16,19) |
| InChIK | DCRZHBFDGALXMZ-UHFFFAOYSA-N |
| TotalMolweight | 289.25 |
| Molweight | 289.25 |
| MonoisotopicMass | 289.081105 |
| CLogP | 0.162 |
| CLogS | -3.63 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 217.1 |
| Relative PSA | 0.47186 |
| PolarSurfaceArea | 128.74 |
| Druglikeness | -0.40088 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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