(5Z)-2-(3-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Formula:C17H9N3OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-2-(3-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.
| MolName | (5Z)-2-(3-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one |
| MolecularFormula | C17H9N3OClFS |
| Smiles | O=C1n2nc(-c3cccc(Cl)c3)nc2S/C1=C\c(cc1)ccc1F |
| InChI | InChI=1S/C17H9ClFN3OS/c18-12-3-1-2-11(9-12)15-20-17-22(21-15)16(23)14(24-17)8-10-4-6-13(19)7-5-10/h1-9H |
| InChIK | MPJDCDRZGBCAJC-UHFFFAOYSA-N |
| TotalMolweight | 357.795 |
| Molweight | 357.795 |
| MonoisotopicMass | 357.013887 |
| CLogP | 4.0622 |
| CLogS | -6.6 |
| H Acceptors | 4 |
| TotalSurfaceArea | 247.72 |
| Relative PSA | 0.23954 |
| PolarSurfaceArea | 73.08 |
| Druglikeness | 3.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-2-(3-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-(3-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
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