(4-chlorophenyl)-[(5Z)-5-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-4-phenyl-1,3,4-thiadiazol-2-yl]methanone
Formula:C22H14N4OClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4-chlorophenyl)-[(5Z)-5-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-4-phenyl-1,3,4-thiadiazol-2-yl]methanone is not a drug-like molecule.
| MolName | (4-chlorophenyl)-[(5Z)-5-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-4-phenyl-1,3,4-thiadiazol-2-yl]methanone |
| MolecularFormula | C22H14N4OClFS |
| Smiles | O=C(C(S/C1=N\N=C/c(cc2)ccc2F)=NN1c1ccccc1)c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H14ClFN4OS/c23-17-10-8-16(9-11-17)20(29)21-27-28(19-4-2-1-3-5-19)22(30-21)26-25-14-15-6-12-18(24)13-7-15/h1-14H |
| InChIK | ULVQQKBEXAASCT-UHFFFAOYSA-N |
| TotalMolweight | 436.897 |
| Molweight | 436.897 |
| MonoisotopicMass | 436.056086 |
| CLogP | 6.4251 |
| CLogS | -6.599 |
| H Acceptors | 5 |
| TotalSurfaceArea | 317.29 |
| Relative PSA | 0.21624 |
| PolarSurfaceArea | 82.69 |
| Druglikeness | 3.5171 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - (4-chlorophenyl)-[(5Z)-5-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-4-phenyl-1,3,4-thiadiazol-2-yl]methanone | 2 - (4-chlorophenyl)-[(5Z)-5-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-4-phenyl-1,3,4-thiadiazol-2-yl]methanone
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