3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,4,6-trichlorophenol
Formula:C14H8N3OCl3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,4,6-trichlorophenol is not a drug-like molecule.
| MolName | 3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,4,6-trichlorophenol |
| MolecularFormula | C14H8N3OCl3S |
| Smiles | Oc(c(Cl)cc(Cl)c1/C=N\Nc2nc(cccc3)c3s2)c1Cl |
| InChI | InChI=1S/C14H8Cl3N3OS/c15-8-5-9(16)13(21)12(17)7(8)6-18-20-14-19-10-3-1-2-4-11(10)22-14/h1-6,21H,(H,19,20) |
| InChIK | NAGAOXVNTNCKSH-UHFFFAOYSA-N |
| TotalMolweight | 372.663 |
| Molweight | 372.663 |
| MonoisotopicMass | 370.945363 |
| CLogP | 7.1156 |
| CLogS | -6.028 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 251.15 |
| Relative PSA | 0.26837 |
| PolarSurfaceArea | 85.75 |
| Druglikeness | 2.4843 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,4,6-trichlorophenol | 2 - 3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-2,4,6-trichlorophenol
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