(2Z)-2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
Formula:C16H12N3OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (2Z)-2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one |
| MolecularFormula | C16H12N3OBrS |
| Smiles | O=C(CS/C1=N\N=C\c2cccc(Br)c2)N1c1ccccc1 |
| InChI | InChI=1S/C16H12BrN3OS/c17-13-6-4-5-12(9-13)10-18-19-16-20(15(21)11-22-16)14-7-2-1-3-8-14/h1-10H,11H2 |
| InChIK | FRFVEERXPDYMDB-UHFFFAOYSA-N |
| TotalMolweight | 374.261 |
| Molweight | 374.261 |
| MonoisotopicMass | 372.988443 |
| CLogP | 5.042 |
| CLogS | -5.828 |
| H Acceptors | 4 |
| TotalSurfaceArea | 245.18 |
| Relative PSA | 0.23289 |
| PolarSurfaceArea | 70.33 |
| Druglikeness | 2.2145 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| 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-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one | 2 - (2Z)-2-[(E)-(3-bromophenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
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