(Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine
Formula:C17H10N6Cl3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine is a drug-like molecule.
| MolName | (Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine |
| MolecularFormula | C17H10N6Cl3FS |
| Smiles | Fc1cccc(Cl)c1/C=N\n(cnn12)c2nnc1SCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C17H10Cl3FN6S/c18-11-5-4-10(14(20)6-11)8-28-17-25-24-16-26(9-23-27(16)17)22-7-12-13(19)2-1-3-15(12)21/h1-7,9H,8H2 |
| InChIK | HMQQTWAWOONHGP-UHFFFAOYSA-N |
| TotalMolweight | 455.731 |
| Molweight | 455.731 |
| MonoisotopicMass | 453.973723 |
| CLogP | 4.5135 |
| CLogS | -7.75 |
| H Acceptors | 6 |
| TotalSurfaceArea | 312.13 |
| Relative PSA | 0.24583 |
| PolarSurfaceArea | 85.67 |
| Druglikeness | 3.2553 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine | 2 - (Z)-1-(2-chloro-6-fluorophenyl)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]methanimine
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