(Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-thiophen-2-ylmethanimine
Formula:C14H11N4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-thiophen-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-thiophen-2-ylmethanimine |
| MolecularFormula | C14H11N4ClS2 |
| Smiles | Clc1ccc(CSc2nncn2/N=C\c2cccs2)cc1 |
| InChI | InChI=1S/C14H11ClN4S2/c15-12-5-3-11(4-6-12)9-21-14-18-16-10-19(14)17-8-13-2-1-7-20-13/h1-8,10H,9H2 |
| InChIK | RLRXGIQTVVMJLQ-UHFFFAOYSA-N |
| TotalMolweight | 334.854 |
| Molweight | 334.854 |
| MonoisotopicMass | 334.011363 |
| CLogP | 3.9044 |
| CLogS | -7.254 |
| H Acceptors | 4 |
| TotalSurfaceArea | 246.87 |
| Relative PSA | 0.31664 |
| PolarSurfaceArea | 96.61 |
| Druglikeness | 5.3428 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-thiophen-2-ylmethanimine | 2 - (Z)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-thiophen-2-ylmethanimine
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