| MolName | (Z)-1-[4-(2H-tetrazol-5-yl)phenyl]-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C10H8N8 |
| Smiles | C(c(cc1)ccc1-c1n[nH]nn1)=N\n1cnnc1 |
| InChI | InChI=1S/C10H8N8/c1-3-9(10-14-16-17-15-10)4-2-8(1)5-13-18-6-11-12-7-18/h1-7H,(H,14,15,16,17) |
| InChIK | CBXQPPOWWCNJNG-UHFFFAOYSA-N |
| TotalMolweight | 240.23 |
| Molweight | 240.23 |
| MonoisotopicMass | 240.087192 |
| CLogP | 0.4947 |
| CLogS | -5.592 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 190.11 |
| Relative PSA | 0.45879 |
| PolarSurfaceArea | 97.53 |
| Druglikeness | -0.55 |
| 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 | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 7 |
| StereoCon |
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1 - (Z)-1-[4-(2H-tetrazol-5-yl)phenyl]-N-(1,2,4-triazol-4-yl)methanimine | 2 - (Z)-1-[4-(2H-tetrazol-5-yl)phenyl]-N-(1,2,4-triazol-4-yl)methanimine