N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
Formula:C11H10N6O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide |
| MolecularFormula | C11H10N6O3 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(Cn2ncnc2)=O)cc1)=O |
| InChI | InChI=1S/C11H10N6O3/c18-11(6-16-8-12-7-14-16)15-13-5-9-1-3-10(4-2-9)17(19)20/h1-5,7-8H,6H2,(H,15,18) |
| InChIK | IYXQBDMKNBZTKR-UHFFFAOYSA-N |
| TotalMolweight | 274.239 |
| Molweight | 274.239 |
| MonoisotopicMass | 274.081439 |
| CLogP | -0.2868 |
| CLogS | -2.792 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 211.14 |
| Relative PSA | 0.45108 |
| PolarSurfaceArea | 117.99 |
| Druglikeness | 1.3186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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