1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-furan-2-ylmethylideneamino]triazole-4-carboxamide
Formula:C17H12N8O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-furan-2-ylmethylideneamino]triazole-4-carboxamide is not a drug-like molecule.
| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-furan-2-ylmethylideneamino]triazole-4-carboxamide |
| MolecularFormula | C17H12N8O5 |
| Smiles | Nc1nonc1-n1nnc(C(N/N=C\c2ccco2)=O)c1-c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H12N8O5/c18-15-16(23-30-22-15)25-14(9-3-4-11-12(6-9)29-8-28-11)13(20-24-25)17(26)21-19-7-10-2-1-5-27-10/h1-7H,8H2,(H2,18,22)(H,21,26) |
| InChIK | OWCYFIDVRUITTC-UHFFFAOYSA-N |
| TotalMolweight | 408.333 |
| Molweight | 408.333 |
| MonoisotopicMass | 408.093067 |
| CLogP | 2.7457 |
| CLogS | -3.599 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 298.91 |
| Relative PSA | 0.50266 |
| PolarSurfaceArea | 168.71 |
| Druglikeness | 1.7293 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 5 |
| StereoCon |
Click to Load Molecule:
1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-furan-2-ylmethylideneamino]triazole-4-carboxamide | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(Z)-furan-2-ylmethylideneamino]triazole-4-carboxamide
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