(2E)-2-(1,3-benzothiazol-2-yl)-2-[(2,5-dichlorophenyl)hydrazinylidene]acetamide
Formula:C15H10N4OCl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2E)-2-(1,3-benzothiazol-2-yl)-2-[(2,5-dichlorophenyl)hydrazinylidene]acetamide is a drug-like molecule.
| MolName | (2E)-2-(1,3-benzothiazol-2-yl)-2-[(2,5-dichlorophenyl)hydrazinylidene]acetamide |
| MolecularFormula | C15H10N4OCl2S |
| Smiles | NC(/C(/c1nc(cccc2)c2s1)=N\Nc(cc(cc1)Cl)c1Cl)=O |
| InChI | InChI=1S/C15H10Cl2N4OS/c16-8-5-6-9(17)11(7-8)20-21-13(14(18)22)15-19-10-3-1-2-4-12(10)23-15/h1-7,20H,(H2,18,22) |
| InChIK | GJAXQLTVQJRPNM-UHFFFAOYSA-N |
| TotalMolweight | 365.243 |
| Molweight | 365.243 |
| MonoisotopicMass | 363.995235 |
| CLogP | 4.3239 |
| CLogS | -4.796 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.86 |
| Relative PSA | 0.32542 |
| PolarSurfaceArea | 108.61 |
| Druglikeness | 3.8553 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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 - (2E)-2-(1,3-benzothiazol-2-yl)-2-[(2,5-dichlorophenyl)hydrazinylidene]acetamide | 2 - (2E)-2-(1,3-benzothiazol-2-yl)-2-[(2,5-dichlorophenyl)hydrazinylidene]acetamide
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