(Z)-1-(furan-2-yl)-N-(1,2,4-triazol-1-yl)methanimine
Formula:C7H6N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(furan-2-yl)-N-(1,2,4-triazol-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(furan-2-yl)-N-(1,2,4-triazol-1-yl)methanimine |
| MolecularFormula | C7H6N4O |
| Smiles | C(c1ccco1)=N\n1ncnc1 |
| InChI | InChI=1S/C7H6N4O/c1-2-7(12-3-1)4-9-11-6-8-5-10-11/h1-6H |
| InChIK | RAJVWHYDRNJNIG-UHFFFAOYSA-N |
| TotalMolweight | 162.152 |
| Molweight | 162.152 |
| MonoisotopicMass | 162.054161 |
| CLogP | 0.8695 |
| CLogS | -2.935 |
| H Acceptors | 5 |
| TotalSurfaceArea | 134.19 |
| Relative PSA | 0.40562 |
| PolarSurfaceArea | 56.21 |
| Druglikeness | 2.7728 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-1-(furan-2-yl)-N-(1,2,4-triazol-1-yl)methanimine | 2 - (Z)-1-(furan-2-yl)-N-(1,2,4-triazol-1-yl)methanimine
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