(Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine
Formula:C16H12N4ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine |
| MolecularFormula | C16H12N4ClFS |
| Smiles | Fc1ccc(/C=N\n2c(SCc(cc3)ccc3Cl)nnc2)cc1 |
| InChI | InChI=1S/C16H12ClFN4S/c17-14-5-1-13(2-6-14)10-23-16-21-19-11-22(16)20-9-12-3-7-15(18)8-4-12/h1-9,11H,10H2 |
| InChIK | JVIJDGHHDHDHLH-UHFFFAOYSA-N |
| TotalMolweight | 346.816 |
| Molweight | 346.816 |
| MonoisotopicMass | 346.045521 |
| CLogP | 4.1386 |
| CLogS | -7.558 |
| H Acceptors | 4 |
| TotalSurfaceArea | 257.28 |
| Relative PSA | 0.2247 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 2.6539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine | 2 - (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-fluorophenyl)methanimine
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