(Z)-1-(5-phenylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
Formula:C13H10N4OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-1-(5-phenylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(5-phenylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine |
| MolecularFormula | C13H10N4OS |
| Smiles | C(c(o1)ccc1Sc1ccccc1)=N\n1cnnc1 |
| InChI | InChI=1S/C13H10N4OS/c1-2-4-12(5-3-1)19-13-7-6-11(18-13)8-16-17-9-14-15-10-17/h1-10H |
| InChIK | QBVFJWVIGXBRSM-UHFFFAOYSA-N |
| TotalMolweight | 270.315 |
| Molweight | 270.315 |
| MonoisotopicMass | 270.057531 |
| CLogP | 2.3355 |
| CLogS | -5.541 |
| H Acceptors | 5 |
| TotalSurfaceArea | 211.44 |
| Relative PSA | 0.34014 |
| PolarSurfaceArea | 81.51 |
| Druglikeness | 6.244 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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