(Z)-1-thiophen-3-yl-N-(1,2,4-triazol-4-yl)methanimine
Formula:C7H6N4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-thiophen-3-yl-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-thiophen-3-yl-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C7H6N4S |
| Smiles | C(c1cscc1)=N\n1cnnc1 |
| InChI | InChI=1S/C7H6N4S/c1-2-12-4-7(1)3-10-11-5-8-9-6-11/h1-6H |
| InChIK | YAJDZYZPNMAOEJ-UHFFFAOYSA-N |
| TotalMolweight | 178.219 |
| Molweight | 178.219 |
| MonoisotopicMass | 178.031316 |
| CLogP | 1.0127 |
| CLogS | -4.21 |
| H Acceptors | 4 |
| TotalSurfaceArea | 140.44 |
| Relative PSA | 0.43207 |
| PolarSurfaceArea | 71.31 |
| Druglikeness | 4.1412 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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