(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyridin-2-ylmethanimine
Formula:C15H12N5ClS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyridin-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyridin-2-ylmethanimine |
| MolecularFormula | C15H12N5ClS |
| Smiles | Clc1c(CSc2nncn2/N=C\c2ncccc2)cccc1 |
| InChI | InChI=1S/C15H12ClN5S/c16-14-7-2-1-5-12(14)10-22-15-20-18-11-21(15)19-9-13-6-3-4-8-17-13/h1-9,11H,10H2 |
| InChIK | LFTBDAHELYHAMH-UHFFFAOYSA-N |
| TotalMolweight | 329.814 |
| Molweight | 329.814 |
| MonoisotopicMass | 329.050192 |
| CLogP | 3.0909 |
| CLogS | -6.473 |
| H Acceptors | 5 |
| TotalSurfaceArea | 249.69 |
| Relative PSA | 0.27546 |
| PolarSurfaceArea | 81.26 |
| Druglikeness | 3.9939 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyridin-2-ylmethanimine | 2 - (Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-pyridin-2-ylmethanimine
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