(E)-N-(1,2,4-triazol-4-yl)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
Formula:C8H8N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1,2,4-triazol-4-yl)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine is a drug-like molecule.
| MolName | (E)-N-(1,2,4-triazol-4-yl)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine |
| MolecularFormula | C8H8N6O |
| Smiles | C(Cc1nonc11)C/C1=N\n1cnnc1 |
| InChI | InChI=1S/C8H8N6O/c1-2-6(11-14-4-9-10-5-14)8-7(3-1)12-15-13-8/h4-5H,1-3H2 |
| InChIK | SASMIYSVVFYMSL-UHFFFAOYSA-N |
| TotalMolweight | 204.193 |
| Molweight | 204.193 |
| MonoisotopicMass | 204.075959 |
| CLogP | 0.5203 |
| CLogS | -3.55 |
| H Acceptors | 7 |
| TotalSurfaceArea | 157.7 |
| Relative PSA | 0.48427 |
| PolarSurfaceArea | 81.99 |
| Druglikeness | 0.94 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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1 - (E)-N-(1,2,4-triazol-4-yl)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine | 2 - (E)-N-(1,2,4-triazol-4-yl)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-imine
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