2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
Formula:C12H11N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide |
| MolecularFormula | C12H11N5O4 |
| Smiles | Nc1nonc1CC(N/N=C\c(cc1)cc2c1OCO2)=O |
| InChI | InChI=1S/C12H11N5O4/c13-12-8(16-21-17-12)4-11(18)15-14-5-7-1-2-9-10(3-7)20-6-19-9/h1-3,5H,4,6H2,(H2,13,17)(H,15,18) |
| InChIK | GGGIXTRWXZWGKI-UHFFFAOYSA-N |
| TotalMolweight | 289.25 |
| Molweight | 289.25 |
| MonoisotopicMass | 289.081105 |
| CLogP | 1.5505 |
| CLogS | -3.265 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 216.74 |
| Relative PSA | 0.4952 |
| PolarSurfaceArea | 124.86 |
| Druglikeness | 5.2317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide | 2 - 2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
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