| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-benzylideneamino]urea |
| MolecularFormula | C10H10N6O2 |
| Smiles | Nc1nonc1NC(N/N=C/c1ccccc1)=O |
| InChI | InChI=1S/C10H10N6O2/c11-8-9(16-18-15-8)13-10(17)14-12-6-7-4-2-1-3-5-7/h1-6H,(H2,11,15)(H2,13,14,16,17) |
| InChIK | RUDZVKMNJVXWOV-UHFFFAOYSA-N |
| TotalMolweight | 246.229 |
| Molweight | 246.229 |
| MonoisotopicMass | 246.086524 |
| CLogP | 1.7323 |
| CLogS | -3.606 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 194.18 |
| Relative PSA | 0.50875 |
| PolarSurfaceArea | 118.43 |
| Druglikeness | 4.8303 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-benzylideneamino]urea | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-benzylideneamino]urea