(Z)-1-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine
Formula:C16H12N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine |
| MolecularFormula | C16H12N4Cl2S |
| Smiles | Clc1ccc(CSc2nncn2/N=C\c(cc2)ccc2Cl)cc1 |
| InChI | InChI=1S/C16H12Cl2N4S/c17-14-5-1-12(2-6-14)9-20-22-11-19-21-16(22)23-10-13-3-7-15(18)8-4-13/h1-9,11H,10H2 |
| InChIK | DABDFDKAUOVNAH-UHFFFAOYSA-N |
| TotalMolweight | 363.271 |
| Molweight | 363.271 |
| MonoisotopicMass | 362.01597 |
| CLogP | 4.6438 |
| CLogS | -7.98 |
| H Acceptors | 4 |
| TotalSurfaceArea | 266.35 |
| Relative PSA | 0.21705 |
| PolarSurfaceArea | 68.37 |
| Druglikeness | 3.9939 |
| 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)-1-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine | 2 - (Z)-1-(4-chlorophenyl)-N-[3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine
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