(6Z)-3-(2-chlorophenyl)-6-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C17H8N3OCl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-3-(2-chlorophenyl)-6-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is not a drug-like molecule.
| MolName | (6Z)-3-(2-chlorophenyl)-6-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C17H8N3OCl3S |
| Smiles | O=C(/C(/S1)=C/c(c(Cl)ccc2)c2Cl)n2c1nnc2-c(cccc1)c1Cl |
| InChI | InChI=1S/C17H8Cl3N3OS/c18-11-5-2-1-4-9(11)15-21-22-17-23(15)16(24)14(25-17)8-10-12(19)6-3-7-13(10)20/h1-8H |
| InChIK | XXBZDNLMINPSIM-UHFFFAOYSA-N |
| TotalMolweight | 408.696 |
| Molweight | 408.696 |
| MonoisotopicMass | 406.945363 |
| CLogP | 5.1375 |
| CLogS | -7.227 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.21 |
| Relative PSA | 0.21799 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 4.2455 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-3-(2-chlorophenyl)-6-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-3-(2-chlorophenyl)-6-[(2,6-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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