(2E)-N-(4-bromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
Formula:C15H9N4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-(4-bromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2E)-N-(4-bromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide |
| MolecularFormula | C15H9N4BrS |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=N\Nc(cc1)ccc1Br |
| InChI | InChI=1S/C15H9BrN4S/c16-10-5-7-11(8-6-10)19-20-13(9-17)15-18-12-3-1-2-4-14(12)21-15/h1-8,19H |
| InChIK | BNIBXBMAKYGIHJ-UHFFFAOYSA-N |
| TotalMolweight | 357.234 |
| Molweight | 357.234 |
| MonoisotopicMass | 355.973127 |
| CLogP | 4.7568 |
| CLogS | -4.755 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.09 |
| Relative PSA | 0.28622 |
| PolarSurfaceArea | 89.31 |
| Druglikeness | -3.5825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2E)-N-(4-bromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide | 2 - (2E)-N-(4-bromoanilino)-1,3-benzothiazole-2-carboximidoyl cyanide
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