(2Z)-2-(1,3-benzothiazol-2-yl)-2-[(2,4,5-trichlorophenyl)hydrazinylidene]acetamide
Formula:C15H9N4OCl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-(1,3-benzothiazol-2-yl)-2-[(2,4,5-trichlorophenyl)hydrazinylidene]acetamide is a drug-like molecule.
| MolName | (2Z)-2-(1,3-benzothiazol-2-yl)-2-[(2,4,5-trichlorophenyl)hydrazinylidene]acetamide |
| MolecularFormula | C15H9N4OCl3S |
| Smiles | NC(/C(/c1nc(cccc2)c2s1)=N/Nc(c(Cl)c1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C15H9Cl3N4OS/c16-7-5-9(18)11(6-8(7)17)21-22-13(14(19)23)15-20-10-3-1-2-4-12(10)24-15/h1-6,21H,(H2,19,23) |
| InChIK | HEYBDTQPYFMCFL-UHFFFAOYSA-N |
| TotalMolweight | 399.688 |
| Molweight | 399.688 |
| MonoisotopicMass | 397.956262 |
| CLogP | 4.9299 |
| CLogS | -5.532 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.28 |
| Relative PSA | 0.30678 |
| PolarSurfaceArea | 108.61 |
| Druglikeness | 3.8553 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | polyhalo aromatic ring |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2Z)-2-(1,3-benzothiazol-2-yl)-2-[(2,4,5-trichlorophenyl)hydrazinylidene]acetamide | 2 - (2Z)-2-(1,3-benzothiazol-2-yl)-2-[(2,4,5-trichlorophenyl)hydrazinylidene]acetamide
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