2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C18H16N6O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C18H16N6O4 |
| Smiles | [O-][N+](c1nn(CC(N/N=C\c(cccc2)c2OCc2ccccc2)=O)cn1)=O |
| InChI | InChI=1S/C18H16N6O4/c25-17(11-23-13-19-18(22-23)24(26)27)21-20-10-15-8-4-5-9-16(15)28-12-14-6-2-1-3-7-14/h1-10,13H,11-12H2,(H,21,25) |
| InChIK | WVEOVNUMFUDIPD-UHFFFAOYSA-N |
| TotalMolweight | 380.363 |
| Molweight | 380.363 |
| MonoisotopicMass | 380.123304 |
| CLogP | 1.4308 |
| CLogS | -4.404 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 294.66 |
| Relative PSA | 0.35716 |
| PolarSurfaceArea | 127.22 |
| Druglikeness | 1.0317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(3-nitro-1,2,4-triazol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
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