(2Z)-2-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]hydrazinylidene]-3-(3-chlorophenyl)-1,3-thiazolidin-4-one
Formula:C18H12N3OCl3S
Mutagenic:high
Tumorigenic:low
Reproductive Effective:low
(2Z)-2-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]hydrazinylidene]-3-(3-chlorophenyl)-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2Z)-2-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]hydrazinylidene]-3-(3-chlorophenyl)-1,3-thiazolidin-4-one |
| MolecularFormula | C18H12N3OCl3S |
| Smiles | O=C(CS/C1=N\N=C/C=C(/c(cc2)ccc2Cl)\Cl)N1c1cccc(Cl)c1 |
| InChI | InChI=1S/C18H12Cl3N3OS/c19-13-6-4-12(5-7-13)16(21)8-9-22-23-18-24(17(25)11-26-18)15-3-1-2-14(20)10-15/h1-10H,11H2 |
| InChIK | CHQQDAGMPXMMRL-UHFFFAOYSA-N |
| TotalMolweight | 424.738 |
| Molweight | 424.738 |
| MonoisotopicMass | 422.976663 |
| CLogP | 5.8258 |
| CLogS | -5.907 |
| H Acceptors | 4 |
| TotalSurfaceArea | 297.52 |
| Relative PSA | 0.19192 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 4.3401 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (2Z)-2-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]hydrazinylidene]-3-(3-chlorophenyl)-1,3-thiazolidin-4-one | 2 - (2Z)-2-[(Z)-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]hydrazinylidene]-3-(3-chlorophenyl)-1,3-thiazolidin-4-one
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